3-methyl-7-[(4-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-8-(3-phenylpropylsulfanyl)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(4-methylbenzyl)-8-(3-phenylpropylthio)xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCCCC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCCCC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C23H24N4O2S/c1-16-10-12-18(13-11-16)15-27-19-20(26(2)22(29)25-21(19)28)24-23(27)30-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,25,28,29)