7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(nonylthio)xanthine Formula: C23H31ClN4O2S MolecularWeight: 463.03584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H31ClN4O2S/c1-4-5-6-7-8-9-12-15-31-22-25-20-19(21(29)27(3)23(30)26(20)2)28(22)16-17-13-10-11-14-18(17)24/h10-11,13-14H,4-9,12,15-16H2,1-3H3