1-[(2-azanylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-azanylpyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[(2-aminopyrimidin-5-yl)methyl]-N-(4-thiazol-4-ylphenyl)piperidine-3-carboxamide CAS Name: 1-[(2-amino-5-pyrimidinyl)methyl]-N-[4-(4-thiazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-aminopyrimidin-5-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-[(2-aminopyrimidin-5-yl)methyl]-N-(4-thiazol-4-ylphenyl)nipecotamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN=C(N=C2)N)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

Isomeric SMILES

C1CC(CN(C1)CC2=CN=C(N=C2)N)C(=O)NC3=CC=C(C=C3)C4=CSC=N4

InChI

InChI=1S/C20H22N6OS/c21-20-22-8-14(9-23-20)10-26-7-1-2-16(11-26)19(27)25-17-5-3-15(4-6-17)18-12-28-13-24-18/h3-6,8-9,12-13,16H,1-2,7,10-11H2,(H,25,27)(H2,21,22,23)