3-methyl-8-(phenylmethylsulfanyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(phenylmethylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-benzylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(phenylmethylthio)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-benzylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(benzylthio)-3-methyl-xanthine Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C16H16N4O2S/c1-3-9-20-12-13(19(2)15(22)18-14(12)21)17-16(20)23-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3,(H,18,21,22)