3-methyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(3-phenylpropylthio)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H22N4O2S/c1-13(2)12-23-15-16(22(3)18(25)21-17(15)24)20-19(23)26-11-7-10-14-8-5-4-6-9-14/h4-6,8-9H,1,7,10-12H2,2-3H3,(H,21,24,25)