AC1MKW6H
2-[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid
Also Known As: BAS 13030792|NCGC00103321-01|F3124-1213|2-[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid|[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid|2-(9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetic acid|2-[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diaza perhydroino[1,2-h]purin-3-yl]acetic acid|2-[9-(4-CHLOROPHENYL)-1,7-DIMETHYL-2,4-DIOXO-1H,2H,3H,4H,6H,7H,8H,9H-PYRIMIDO[1,2-G]PURIN-3-YL]ACETIC ACID
| Molecular Formula | C18H18ClN5O4 |
|---|---|
| Molecular Weight | 403.10474 g/mol |
| LogP | 1.4225 |
| Topological Polar Surface Area | 102.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.10474 |
| Monoisotopic Mass | 403.10474 |
| Heavy Atoms | 28 |
| Complexity | 1207.9147 |
Chemical Identifiers
| CAS Number | 878423-85-9 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)O)C4=CC=C(C=C4)Cl |
Product Overview
AC1MKW6H (CAS 878423-85-9), with molecular formula C18H18ClN5O4 and molecular weight 403.10474 g/mol. IUPAC: 2-[9-(4-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetic acid.
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