N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N6O2/c1-15-6-4-7-16(2)19(15)25-18(28)14-24-20(29)17(3)26-10-12-27(13-11-26)21-22-8-5-9-23-21/h4-9,17H,10-14H2,1-3H3,(H,24,29)(H,25,28)