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

Systemtic Name: 1,3-dimethyl-9-(4-methylsulfanylphenyl)-6-oxidanyl-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3-dimethyl-9-(4-methylsulfanylphenyl)-7-propylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 6-hydroxy-1,3-dimethyl-9-[4-(methylthio)phenyl]-7-propyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=C(C=C4)SC)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCC1=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/C20H21N5O4S/c1-5-6-13-16(26)24(11-7-9-12(30-4)10-8-11)19-21-15-14(25(19)17(13)27)18(28)23(3)20(29)22(15)2/h7-10,27H,5-6H2,1-4H3