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

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C21H20ClN5OS MolecularWeight: 425.9344

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5OS/c1-12-13(2)29-21-18(12)19(24-11-25-21)27-7-5-14(6-8-27)20(28)26-16-4-3-15(10-23)17(22)9-16/h3-4,9,11,14H,5-8H2,1-2H3,(H,26,28)