N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-methyl-2-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-methyl-2-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-(benzylamino)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 2-(benzylamino)-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: 2-(benzylamino)-N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-pyrimidine-5-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)NCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O3/c1-13-15(12-24-21(25-13)23-11-14-7-5-4-6-8-14)20(27)26-17-9-16(22)18(28-2)10-19(17)29-3/h4-10,12H,11H2,1-3H3,(H,26,27)(H,23,24,25)