2-[(3-chlorophenyl)amino]-N-(cyclohexylmethyl)-4-propan-2-yl-pyrimidine-5-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)amino]-N-(cyclohexylmethyl)-4-propan-2-yl-pyrimidine-5-carboxamide Openeye Name: 2-(3-chloroanilino)-N-(cyclohexylmethyl)-4-isopropyl-pyrimidine-5-carboxamide CAS Name: 2-(3-chloroanilino)-N-(cyclohexylmethyl)-4-propan-2-yl-5-pyrimidinecarboxamide IUPAC Name: 2-(3-chloroanilino)-N-(cyclohexylmethyl)-4-propan-2-ylpyrimidine-5-carboxamide Traditional Name: 2-(3-chloroanilino)-N-(cyclohexylmethyl)-4-isopropyl-pyrimidine-5-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC=C1C(=O)NCC2CCCCC2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=NC(=NC=C1C(=O)NCC2CCCCC2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H27ClN4O/c1-14(2)19-18(20(27)23-12-15-7-4-3-5-8-15)13-24-21(26-19)25-17-10-6-9-16(22)11-17/h6,9-11,13-15H,3-5,7-8,12H2,1-2H3,(H,23,27)(H,24,25,26)