8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H20N4O3S/c1-4-25-17-18-14-13(15(22)19-16(23)20(14)2)21(17)10-9-11-5-7-12(24-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,19,22,23)