N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxidanylidene-1H-pyridin-3-yl]-4-piperazin-1-yl-benzamide

Systemtic Name: N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxidanylidene-1H-pyridin-3-yl]-4-piperazin-1-yl-benzamide Openeye Name: N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-yl-benzamide CAS Name: N-[5-[2-(methylamino)-4-pyrimidinyl]-2-oxo-1H-pyridin-3-yl]-4-(1-piperazinyl)benzamide IUPAC Name: N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide Traditional Name: N-[2-keto-5-[2-(methylamino)pyrimidin-4-yl]-1H-pyridin-3-yl]-4-piperazino-benzamide Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=CNC(=O)C(=C2)NC(=O)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

CNC1=NC=CC(=N1)C2=CNC(=O)C(=C2)NC(=O)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C21H23N7O2/c1-22-21-24-7-6-17(27-21)15-12-18(20(30)25-13-15)26-19(29)14-2-4-16(5-3-14)28-10-8-23-9-11-28/h2-7,12-13,23H,8-11H2,1H3,(H,25,30)(H,26,29)(H,22,24,27)