ethyl 3-chloranyl-4-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-5-methoxy-benzoate

Systemtic Name: ethyl 3-chloranyl-4-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-5-methoxy-benzoate Openeye Name: ethyl 3-chloro-4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-5-methoxy-benzoate CAS Name: 3-chloro-4-[[2-(4-cyanoanilino)-4-pyrimidinyl]amino]-5-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-5-methoxybenzoate Traditional Name: 3-chloro-4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-5-methoxy-benzoic acid ethyl ester Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3/c1-3-30-20(28)14-10-16(22)19(17(11-14)29-2)26-18-8-9-24-21(27-18)25-15-6-4-13(12-23)5-7-15/h4-11H,3H2,1-2H3,(H2,24,25,26,27)