AC1MKW6B
2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid
Also Known As: BAS 13030784|VU0509721-1|AB00775275-01|F3124-1205|2-(9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetic acid|2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid|2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetic acid|2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-d iazaperhydroino[1,2-h]purin-3-yl]acetic acid
| Molecular Formula | C20H23N5O4 |
|---|---|
| Molecular Weight | 397.17502 g/mol |
| LogP | 1.38594 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.17502 |
| Monoisotopic Mass | 397.17502 |
| Heavy Atoms | 29 |
| Complexity | 1266.5829 |
Chemical Identifiers
| CAS Number | 878423-75-7 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)O)C4=CC(=C(C=C4)C)C |
Product Overview
AC1MKW6B (CAS 878423-75-7), with molecular formula C20H23N5O4 and molecular weight 397.17502 g/mol. IUPAC: 2-[9-(3,4-dimethylphenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid.