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

Systemtic Name: 1-methyl-9-(4-phenoxyphenyl)-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-benzyl-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(4-phenoxyphenyl)-3-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-benzyl-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-benzyl-1-methyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N5O3/c1-30-25-24(26(34)33(28(30)35)19-20-9-4-2-5-10-20)32-18-8-17-31(27(32)29-25)21-13-15-23(16-14-21)36-22-11-6-3-7-12-22/h2-7,9-16H,8,17-19H2,1H3