8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[(2-chlorophenyl)thio]methyl]-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)sulfanylmethyl]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[[(2-chlorophenyl)thio]methyl]-3-methyl-xanthine Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=C3Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=CC=CC=C3Cl)CC=C

InChI

InChI=1S/C16H15ClN4O2S/c1-3-8-21-12(9-24-11-7-5-4-6-10(11)17)18-14-13(21)15(22)19-16(23)20(14)2/h3-7H,1,8-9H2,2H3,(H,19,22,23)