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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-phenylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(phenylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-phenylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(phenylthio)xanthine Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H16N4O2S/c1-10(2)9-20-12-13(19(3)15(22)18-14(12)21)17-16(20)23-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3,(H,18,21,22)