3-methyl-7-pentyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-pentyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-pentyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-pentyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-(phenacylthio)xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H22N4O3S/c1-3-4-8-11-23-15-16(22(2)18(26)21-17(15)25)20-19(23)27-12-14(24)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,21,25,26)