1,3-dimethyl-9-(4-methylsulfanylphenyl)-6-oxidanyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 1,3-dimethyl-9-(4-methylsulfanylphenyl)-6-oxidanyl-7-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)-7-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]-7-phenylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)-7-phenylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]-7-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C23H19N5O4S MolecularWeight: 461.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=C(C(=O)N(C3=N2)C4=CC=C(C=C4)SC)C5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=C(C(=O)N(C3=N2)C4=CC=C(C=C4)SC)C5=CC=CC=C5)O

InChI

InChI=1S/C23H19N5O4S/c1-25-18-17(21(31)26(2)23(25)32)28-20(30)16(13-7-5-4-6-8-13)19(29)27(22(28)24-18)14-9-11-15(33-3)12-10-14/h4-12,30H,1-3H3