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

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCSC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H28N4O3S/c1-5-6-7-14-29-20-22-18-17(19(26)24(3)21(27)23(18)2)25(20)13-12-15-8-10-16(28-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3