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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-prop-2-ynylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(prop-2-ynylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-prop-2-ynylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5,6-dimethyl-2-(propargylthio)thieno[2,3-d]pyrimidin-4-one Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#C)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#C)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H14N2O3S2/c1-4-7-24-18-19-16-15(10(2)11(3)25-16)17(21)20(18)12-5-6-13-14(8-12)23-9-22-13/h1,5-6,8H,7,9H2,2-3H3