N-methyl-3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-methyl-3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide Openeye Name: N-methyl-3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzamide CAS Name: N-methyl-3-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzamide IUPAC Name: N-methyl-3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzamide Traditional Name: N-methyl-3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzamide Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N6O/c1-22-20(28)15-6-4-7-16(12-15)26-21-23-10-9-19(27-21)25-17-11-14-5-2-3-8-18(14)24-13-17/h2-13H,1H3,(H,22,28)(H2,23,25,26,27)