3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-phenacylsulfanyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-phenacylsulfanyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(phenacylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-methylbenzyl)-8-(phenacylthio)xanthine Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)SCC(=O)C4=CC=CC=C4)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)SCC(=O)C4=CC=CC=C4)N(C2=O)C

InChI

InChI=1S/C23H22N4O3S/c1-15-9-11-16(12-10-15)13-27-21(29)19-20(26(3)23(27)30)24-22(25(19)2)31-14-18(28)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3