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

Systemtic Name: N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(4-cyanophenyl)-1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C21H21N5OS/c1-13-14(2)28-21-18(13)19(23-12-24-21)26-9-7-16(8-10-26)20(27)25-17-5-3-15(11-22)4-6-17/h3-6,12,16H,7-10H2,1-2H3,(H,25,27)