3-[(3-chlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-[(3-chlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(3-chlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(3-chlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(3-chlorophenyl)methyl]-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(3-chlorobenzyl)-9-(4-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N4CCCN(C4=N2)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)Cl)N4CCCN(C4=N2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C23H22ClN5O3/c1-26-20-19(21(30)29(23(26)31)14-15-5-3-6-16(24)13-15)28-12-4-11-27(22(28)25-20)17-7-9-18(32-2)10-8-17/h3,5-10,13H,4,11-12,14H2,1-2H3