AG002KSV

21047-89-2 | Propanamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-

AG002KSV

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CAS Number	21047-89-2
Catalog Number	AG002KSV(AGN-PC-0O7RCJ)
Chemical Name	Propanamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-
IUPAC Name	2-methyl-N-(6-oxo-1,7-dihydropurin-2-yl)propanamide
InChI	InChI=1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16)
InChI Key	CFIBTBBTJWHPQV-UHFFFAOYSA-N
MDL Number	MFCD16038625
Molecular Formula	C9H11N5O2
Molecular Weight	221.2159
NSC Number	637538
SMILES	CC(C)C(NC(NC2=C1NC=N2)=NC1=O)=O
Synonyms	21047-89-2, N2-Isobutyrylguanine, N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide, N-IB-GUA, n-isobutyrylguanine, N-(6,7-DIHYDRO-6-OXO-1H-PURIN-2-YL)-2-METHYLPROPANAMIDE, NSC637538, CFIBTBBTJWHPQV-UHFFFAOYSA-N, N-(6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide, AK113924, Propanamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-, W-201857, AC1L7VEM, AC1Q5LEJ, N2-(isobutanoyl) guanine, Oprea1_393278, N2-ISOBUTYRYL-GUANINE, SCHEMBL442818, CHEMBL1984217, SCHEMBL10580077, CTK7F3957, ZINC96962, BCP18432, KS-00000B8K, MFCD16038625, AKOS016009831, AKOS024280914, MCULE-3757143535, NSC-637538, ACM21047892, AJ-11031, AS-19041, NCI60_012451, SC-02344, ST036884, SY019567, AB0031195, AX8170907, X4191, 2-methyl-N-(6-oxohydropurin-2-yl)propanamide, K-6064, MFCD00831974 (97+%), 047D892, N-(6-Hydroxy-9H-purin-2-yl)-2-methylpropanamide, N-(6-hydroxy-9H-purin-2-yl)-2-methyl-propanamide, 2-methyl-N-(6-oxo-3,7-dihydropurin-2-yl)propanamide, 2-Methyl-N-(6-oxo-6,9-dihydro-1H-purin-2-yl)propanamide, 2-Methyl-N-(6-oxo-6,9-dihydro-1H-purin-2-yl)propanamide #, N-(6,7-Dihydro-6-oxo-1H-purin-2-yl)-2-methyl-propanamide, Propanamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-, 2-Bromo-1,10-phenathroline, N2-isobutyrylguanine?monohydrate, C9H11N5O2, CID367660, ACN-052315, 3056-33-5,

Complexity	352
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.091g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	221.22g/mol
Monoisotopic Mass	221.091g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	99.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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