7-decyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 7-decyl-8-isopentylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 7-decyl-8-(isoamylthio)-3-methyl-xanthine Formula: C21H36N4O2S MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H36N4O2S/c1-5-6-7-8-9-10-11-12-14-25-17-18(24(4)20(27)23-19(17)26)22-21(25)28-15-13-16(2)3/h16H,5-15H2,1-4H3,(H,23,26,27)