[2-[(2,3-dimethylphenyl)amino]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,3-dimethylanilino)-3-pyridyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,3-dimethylanilino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,3-dimethylanilino)pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,3-dimethylanilino)-3-pyridyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H24N6O/c1-16-6-3-8-19(17(16)2)26-20-18(7-4-9-23-20)21(29)27-12-14-28(15-13-27)22-24-10-5-11-25-22/h3-11H,12-15H2,1-2H3,(H,23,26)