1,3-dimethyl-8-nonylsulfanyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nonylsulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(nonylthio)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(nonylthio)xanthine Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H32N4O2S/c1-4-5-6-7-8-9-13-16-30-22-24-20-19(21(28)26(3)23(29)25(20)2)27(22)17-18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3