1-(2-azanyl-6-phenylazanyl-pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-azanyl-6-phenylazanyl-pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(2-amino-6-anilino-pyrimidin-4-yl)-N-(4-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(2-amino-6-anilino-4-pyrimidinyl)-N-(pyridin-4-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-amino-6-anilinopyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(2-amino-6-anilino-pyrimidin-4-yl)-N-(4-pyridylmethyl)isonipecotamide Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=NC=C2)C3=CC(=NC(=N3)N)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=NC=C2)C3=CC(=NC(=N3)N)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N7O/c23-22-27-19(26-18-4-2-1-3-5-18)14-20(28-22)29-12-8-17(9-13-29)21(30)25-15-16-6-10-24-11-7-16/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,25,30)(H3,23,26,27,28)