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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(3-phenylpropylthio)xanthine Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C24H26N4O2S/c1-17-9-7-12-19(15-17)16-28-20-21(26(2)24(30)27(3)22(20)29)25-23(28)31-14-8-13-18-10-5-4-6-11-18/h4-7,9-12,15H,8,13-14,16H2,1-3H3