3-methyl-8-(3-methylbutylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-isopentylsulfanyl-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylthio)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(isoamylthio)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H26N4O2S/c1-14(2)11-13-27-20-21-17-16(18(25)22-19(26)23(17)3)24(20)12-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,22,25,26)