7-butyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-(phenacylthio)xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O3S/c1-4-5-11-23-15-16(21(2)19(26)22(3)17(15)25)20-18(23)27-12-14(24)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3