1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-phenylsulfanyl-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)-7-phenylsulfanyl-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-phenylsulfanyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3-dimethyl-9-(phenylmethyl)-7-(phenylthio)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-phenylsulfanyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-(phenylthio)-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C23H21N5O3S MolecularWeight: 447.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)SC5=CC=CC=C5)C

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=CC=C4)O)SC5=CC=CC=C5)C

InChI

InChI=1S/C23H21N5O3S/c1-25-14-26(2)20(29)17-19(25)24-23-27(13-15-9-5-3-6-10-15)21(30)18(22(31)28(17)23)32-16-11-7-4-8-12-16/h3-12,30H,13-14H2,1-2H3