1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(1-methyl-2-imidazolyl)thio]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(1-methylimidazol-2-yl)sulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[(1-methylimidazol-2-yl)thio]xanthine Formula: C14H16N6O2S MolecularWeight: 332.38084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1C=CN=C1SC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H16N6O2S/c1-5-7-20-9-10(18(3)14(22)19(4)11(9)21)16-13(20)23-12-15-6-8-17(12)2/h5-6,8H,1,7H2,2-4H3