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

Systemtic Name: 1,3-dimethyl-7-methylsulfanyl-8-oxidanyl-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-methylsulfanyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 8-hydroxy-1,3-dimethyl-7-(methylthio)-9-(phenylmethyl)-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-methylsulfanyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 9-benzyl-8-hydroxy-1,3-dimethyl-7-(methylthio)-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-20-10-21(2)15(24)12-14(20)19-18-22(9-11-7-5-4-6-8-11)16(25)13(27-3)17(26)23(12)18/h4-8,25H,9-10H2,1-3H3