3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidine-2-carbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidine-2-carbonitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidine-2-carbonitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinecarbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidine-2-carbonitrile Traditional Name: 4-keto-3-piperonyl-thieno[3,2-d]pyrimidine-2-carbonitrile Formula: C15H9N3O3S MolecularWeight: 311.31526

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NC4=C(C3=O)SC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NC4=C(C3=O)SC=C4)C#N

InChI

InChI=1S/C15H9N3O3S/c16-6-13-17-10-3-4-22-14(10)15(19)18(13)7-9-1-2-11-12(5-9)21-8-20-11/h1-5H,7-8H2