N-[3-(6-azanyl-5-cyano-2-pyridin-3-yl-pyrimidin-4-yl)propyl]benzamide

Systemtic Name: N-[3-(6-azanyl-5-cyano-2-pyridin-3-yl-pyrimidin-4-yl)propyl]benzamide Openeye Name: N-[3-[6-amino-5-cyano-2-(3-pyridyl)pyrimidin-4-yl]propyl]benzamide CAS Name: N-[3-[6-amino-5-cyano-2-(3-pyridinyl)-4-pyrimidinyl]propyl]benzamide IUPAC Name: N-[3-(6-amino-5-cyano-2-pyridin-3-ylpyrimidin-4-yl)propyl]benzamide Traditional Name: N-[3-[6-amino-5-cyano-2-(3-pyridyl)pyrimidin-4-yl]propyl]benzamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCC2=C(C(=NC(=N2)C3=CN=CC=C3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCC2=C(C(=NC(=N2)C3=CN=CC=C3)N)C#N

InChI

InChI=1S/C20H18N6O/c21-12-16-17(9-5-11-24-20(27)14-6-2-1-3-7-14)25-19(26-18(16)22)15-8-4-10-23-13-15/h1-4,6-8,10,13H,5,9,11H2,(H,24,27)(H2,22,25,26)