4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide Openeye Name: 4-amino-6-(4-benzyloxy-3-chloro-anilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide CAS Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-methoxyethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide Traditional Name: 4-amino-6-(4-benzoxy-3-chloro-anilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(N=CN=C1NC2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COCCNC(=O)C1=C(N=CN=C1NC2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)