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

Systemtic Name: 1,3-dimethyl-6-prop-2-ynylsulfanyl-purin-2-one Openeye Name: 1,3-dimethyl-6-prop-2-ynylsulfanyl-purin-2-one CAS Name: 1,3-dimethyl-6-(prop-2-ynylthio)-2-purinone IUPAC Name: 1,3-dimethyl-6-prop-2-ynylsulfanylpurin-2-one Traditional Name: 1,3-dimethyl-6-(propargylthio)purin-2-one Formula: C10H10N4OS MolecularWeight: 234.2776

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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/C10H10N4OS/c1-4-5-16-9-7-8(12-6-11-7)13(2)10(15)14(9)3/h1,6H,5H2,2-3H3