3-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-4-oxidanylidene-N-pyridin-3-yl-thieno[2,3-d]pyrimidine-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-4-oxidanylidene-N-pyridin-3-yl-thieno[2,3-d]pyrimidine-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-4-oxo-N-(3-pyridyl)thieno[2,3-d]pyrimidine-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-4-oxo-N-(3-pyridinyl)-5-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethyl-4-oxo-N-pyridin-3-ylthieno[2,3-d]pyrimidine-5-carboxamide Traditional Name: 4-keto-N,6-dimethyl-3-piperonyl-N-(3-pyridyl)thieno[2,3-d]pyrimidine-5-carboxamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C=C3)OCO4)C(=O)N(C)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C=C3)OCO4)C(=O)N(C)C5=CN=CC=C5

InChI

InChI=1S/C22H18N4O4S/c1-13-18(21(27)25(2)15-4-3-7-23-9-15)19-20(31-13)24-11-26(22(19)28)10-14-5-6-16-17(8-14)30-12-29-16/h3-9,11H,10,12H2,1-2H3