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

Systemtic Name: 1,3,7-trimethyl-9-(4-methylsulfanylphenyl)-6-oxidanyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3,7-trimethyl-9-(4-methylsulfanylphenyl)purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3,7-trimethyl-9-[4-(methylthio)phenyl]purino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3,7-trimethyl-9-(4-methylsulfanylphenyl)purino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 6-hydroxy-1,3,7-trimethyl-9-[4-(methylthio)phenyl]purino[7,8-a]pyrimidine-2,4,8-trione Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)SC)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)SC)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C18H17N5O4S/c1-9-14(24)22(10-5-7-11(28-4)8-6-10)17-19-13-12(23(17)15(9)25)16(26)21(3)18(27)20(13)2/h5-8,25H,1-4H3