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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-3-[(4-chlorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(4-chlorophenyl)methyl]-1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-3-[(4-chlorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-3-(4-chlorobenzyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N4CCCN(C4=N2)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N4CCCN(C4=N2)CC5=CC=CC=C5

InChI

InChI=1S/C23H22ClN5O2/c1-26-20-19(21(30)29(23(26)31)15-17-8-10-18(24)11-9-17)28-13-5-12-27(22(28)25-20)14-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3