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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC(=CC=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC(=CC=C5)Cl

InChI

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