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

Systemtic Name: N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide Openeye Name: N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide CAS Name: N-(3-ethylphenyl)-1-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide Traditional Name: N-(3-ethylphenyl)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)nipecotamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=C4C=C(SC4=NC=N3)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2CCCN(C2)C3=C4C=C(SC4=NC=N3)CC

InChI

InChI=1S/C22H26N4OS/c1-3-15-7-5-9-17(11-15)25-21(27)16-8-6-10-26(13-16)20-19-12-18(4-2)28-22(19)24-14-23-20/h5,7,9,11-12,14,16H,3-4,6,8,10,13H2,1-2H3,(H,25,27)