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

Systemtic Name: 1,3-dimethyl-9-(4-methylsulfanylphenyl)-6-oxidanyl-7-pentyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)-7-pentyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]-7-pentylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)-7-pentylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 7-amyl-6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]purino[7,8-a]pyrimidine-2,4,8-trione Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)SC)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCCC1=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/C22H25N5O4S/c1-5-6-7-8-15-18(28)26(13-9-11-14(32-4)12-10-13)21-23-17-16(27(21)19(15)29)20(30)25(3)22(31)24(17)2/h9-12,29H,5-8H2,1-4H3