1,3-dimethyl-6-prop-2-enylsulfanyl-purin-2-one

Systemtic Name: 1,3-dimethyl-6-prop-2-enylsulfanyl-purin-2-one Openeye Name: 6-allylsulfanyl-1,3-dimethyl-purin-2-one CAS Name: 1,3-dimethyl-6-(prop-2-enylthio)-2-purinone IUPAC Name: 1,3-dimethyl-6-prop-2-enylsulfanylpurin-2-one Traditional Name: 6-(allylthio)-1,3-dimethyl-purin-2-one Formula: C10H12N4OS MolecularWeight: 236.29348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC=N2)N(C1=O)C)SCC=C

Isomeric SMILES

CN1C(=C2C(=NC=N2)N(C1=O)C)SCC=C

InChI

InChI=1S/C10H12N4OS/c1-4-5-16-9-7-8(12-6-11-7)13(2)10(15)14(9)3/h4,6H,1,5H2,2-3H3