N-[4-(tert-butylcarbamoyl)phenyl]-5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxamide

Systemtic Name: N-[4-(tert-butylcarbamoyl)phenyl]-5-chloranyl-2-[(phenylmethyl)amino]pyrimidine-4-carboxamide Openeye Name: 2-(benzylamino)-N-[4-(tert-butylcarbamoyl)phenyl]-5-chloro-pyrimidine-4-carboxamide CAS Name: N-[4-[(tert-butylamino)-oxomethyl]phenyl]-5-chloro-2-[(phenylmethyl)amino]-4-pyrimidinecarboxamide IUPAC Name: 2-(benzylamino)-N-[4-(tert-butylcarbamoyl)phenyl]-5-chloropyrimidine-4-carboxamide Traditional Name: 2-(benzylamino)-N-[4-(tert-butylcarbamoyl)phenyl]-5-chloro-pyrimidine-4-carboxamide Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24ClN5O2/c1-23(2,3)29-20(30)16-9-11-17(12-10-16)27-21(31)19-18(24)14-26-22(28-19)25-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,27,31)(H,29,30)(H,25,26,28)