5-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H9ClN2O3S MolecularWeight: 320.75086

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC4=C3C(=O)NC(=N4)CCl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC4=C3C(=O)NC(=N4)CCl

InChI

InChI=1S/C14H9ClN2O3S/c15-4-11-16-13(18)12-8(5-21-14(12)17-11)7-1-2-9-10(3-7)20-6-19-9/h1-3,5H,4,6H2,(H,16,17,18)