1,3-dimethyl-7-prop-2-enyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-prop-2-enyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-enyl-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(2-pyrimidylthio)xanthine Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC=CC=N3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC=CC=N3)CC=C

InChI

InChI=1S/C14H14N6O2S/c1-4-8-20-9-10(18(2)14(22)19(3)11(9)21)17-13(20)23-12-15-6-5-7-16-12/h4-7H,1,8H2,2-3H3