| CAS Number | 878437-15-1 |
| Catalog Number | AG01DWRV |
| Chemical Name | 2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione |
| IUPAC Name | 2-amino-5-(3-methoxy-4-prop-2-enoxyphenyl)-3,6-dihydropyrido[2,3-d]pyrimidine-4,7-dione |
| InChI | InChI=1S/C17H16N4O4/c1-3-6-25-11-5-4-9(7-12(11)24-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h3-5,7H,1,6,8H2,2H3,(H3,18,19,20,21,22,23) |
| InChI Key | HGCZPIKMWAYXGJ-UHFFFAOYSA-N |
| MDL Number | MFCD07400226 |
| Molecular Formula | C17H18N4O4 |
| Molecular Weight | 342.3492 |
| SMILES | COC1=C(OCC=C)C=CC(C2C3=C(N=C(NC3=O)N)NC(=O)C2)=C1 |
| Synonyms | 2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione,
878437-15-1,
|
| Complexity | 695 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.339g/mol |
| Monoisotopic Mass | 340.117g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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