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

Systemtic Name: 2-[(3-chlorophenyl)amino]-N-(oxan-4-ylmethyl)-4-propan-2-yl-pyrimidine-5-carboxamide Openeye Name: 2-(3-chloroanilino)-4-isopropyl-N-(tetrahydropyran-4-ylmethyl)pyrimidine-5-carboxamide CAS Name: 2-(3-chloroanilino)-N-(4-oxanylmethyl)-4-propan-2-yl-5-pyrimidinecarboxamide IUPAC Name: 2-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyrimidine-5-carboxamide Traditional Name: 2-(3-chloroanilino)-4-isopropyl-N-(tetrahydropyran-4-ylmethyl)pyrimidine-5-carboxamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC=C1C(=O)NCC2CCOCC2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=NC(=NC=C1C(=O)NCC2CCOCC2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-13(2)18-17(19(26)22-11-14-6-8-27-9-7-14)12-23-20(25-18)24-16-5-3-4-15(21)10-16/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,22,26)(H,23,24,25)