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

Systemtic Name: 1-methyl-3-phenethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-phenethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-phenethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-phenethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-phenethyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C29H27N5O3/c1-31-26-25(27(35)34(29(31)36)20-17-21-9-4-2-5-10-21)33-19-8-18-32(28(33)30-26)22-13-15-24(16-14-22)37-23-11-6-3-7-12-23/h2-7,9-16H,8,17-20H2,1H3