7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(3-methylbutylthio)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(3-methylbutylsulfanyl)purine-2,6-dione Traditional Name: 8-(isoamylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-14(2)11-13-29-20-22-18-17(19(26)24(4)21(27)23(18)3)25(20)12-10-15-6-8-16(28-5)9-7-15/h6-9,14H,10-13H2,1-5H3