3-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-2-(prop-2-ynylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-2-prop-2-ynylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-2-(propargylthio)thieno[2,3-d]pyrimidin-4-one Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC4=C(C=C3)OCO4)SCC#C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC4=C(C=C3)OCO4)SCC#C)C

InChI

InChI=1S/C19H16N2O3S2/c1-4-8-25-19-20-17-16(11(3)15(5-2)26-17)18(22)21(19)12-6-7-13-14(9-12)24-10-23-13/h1,6-7,9H,5,8,10H2,2-3H3