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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(4-chlorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(4-chlorobenzyl)-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C28H24ClN5O3 MolecularWeight: 513.97486

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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)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N4CCCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H24ClN5O3/c1-31-25-24(26(35)34(28(31)36)18-19-8-10-20(29)11-9-19)33-17-5-16-32(27(33)30-25)21-12-14-23(15-13-21)37-22-6-3-2-4-7-22/h2-4,6-15H,5,16-18H2,1H3