N-(1,3-benzodioxol-5-yl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c1-2-15-10-16-19(22-11-23-21(16)29-15)25-7-5-13(6-8-25)20(26)24-14-3-4-17-18(9-14)28-12-27-17/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,24,26)