3-methyl-8-phenylsulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-phenylsulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-phenylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-8-(phenylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-phenylsulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(phenylthio)xanthine Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CC=C

InChI

InChI=1S/C15H14N4O2S/c1-3-9-19-11-12(18(2)14(21)17-13(11)20)16-15(19)22-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,17,20,21)