ethyl 4-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-cyanoanilino)-4-pyrimidinyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3-methyl-benzoic acid ethyl ester Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H19N5O2/c1-3-28-20(27)16-6-9-18(14(2)12-16)25-19-10-11-23-21(26-19)24-17-7-4-15(13-22)5-8-17/h4-12H,3H2,1-2H3,(H2,23,24,25,26)