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

Systemtic Name: 1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C16H17N5O2 MolecularWeight: 311.33848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3CCCN(C3=N2)CC4=CC=CC=C4

InChI

InChI=1S/C16H17N5O2/c1-19-13-12(14(22)18-16(19)23)21-9-5-8-20(15(21)17-13)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,18,22,23)