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

Systemtic Name: 7-butyl-1,3-dimethyl-9-(4-methylsulfanylphenyl)-6-oxidanyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 7-butyl-6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 7-butyl-6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]purino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 7-butyl-6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)purino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 7-butyl-6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]purino[7,8-a]pyrimidine-2,4,8-trione Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)SC)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCC1=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/C21H23N5O4S/c1-5-6-7-14-17(27)25(12-8-10-13(31-4)11-9-12)20-22-16-15(26(20)18(14)28)19(29)24(3)21(30)23(16)2/h8-11,28H,5-7H2,1-4H3