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

Systemtic Name: 3-methyl-7-prop-2-enyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-prop-2-enyl-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-prop-2-enyl-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(2-pyrimidylthio)xanthine Formula: C13H12N6O2S MolecularWeight: 316.33838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CC=C

InChI

InChI=1S/C13H12N6O2S/c1-3-7-19-8-9(18(2)12(21)17-10(8)20)16-13(19)22-11-14-5-4-6-15-11/h3-6H,1,7H2,2H3,(H,17,20,21)