| CAS Number | 1429639-50-8 |
| Catalog Number | AG009VTT(AGN-PC-0WNHCS) |
| Chemical Name | CZ415 |
| IUPAC Name | 1-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea |
| InChI | InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1 |
| InChI Key | IZLPVLBNRGPOHA-AWEZNQCLSA-N |
| MDL Number | MFCD30533321 |
| Molecular Formula | C22H29N5O4S |
| Molecular Weight | 459.5618 |
| SMILES | CC1(C)c2c(CS1(=O)=O)c(nc(n2)c1ccc(cc1)NC(=O)NCC)N1[C@@H](C)COCC1 |
| Synonyms | CZ415,
1429639-50-8,
CZ-415,
SCHEMBL14852676,
BCP20204,
EX-A1459,
s8298,
AKOS032945102,
ZINC143379751,
CS-6131,
SB18770,
HY-100222,
(S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea,
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| Complexity | 778 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.565g/mol |
| Monoisotopic Mass | 459.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number