4-tert-butyl-N-(3-chlorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyrimidin-2-amine hydrochloride

Systemtic Name: 4-tert-butyl-N-(3-chlorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyrimidin-2-amine hydrochloride Openeye Name: 4-tert-butyl-N-(3-chlorophenyl)-5-[(tetrahydropyran-4-ylmethylamino)methyl]pyrimidin-2-amine hydrochloride CAS Name: 4-tert-butyl-N-(3-chlorophenyl)-5-[(4-oxanylmethylamino)methyl]-2-pyrimidinamine hydrochloride IUPAC Name: 4-tert-butyl-N-(3-chlorophenyl)-5-[(oxan-4-ylmethylamino)methyl]pyrimidin-2-amine hydrochloride Traditional Name: [4-tert-butyl-2-(3-chloroanilino)pyrimidin-5-yl]methyl-(tetrahydropyran-4-ylmethyl)amine hydrochloride Formula: C21H30Cl2N4O MolecularWeight: 425.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NC=C1CNCC2CCOCC2)NC3=CC(=CC=C3)Cl.Cl

Isomeric SMILES

CC(C)(C)C1=NC(=NC=C1CNCC2CCOCC2)NC3=CC(=CC=C3)Cl.Cl

InChI

InChI=1S/C21H29ClN4O.ClH/c1-21(2,3)19-16(13-23-12-15-7-9-27-10-8-15)14-24-20(26-19)25-18-6-4-5-17(22)11-18;/h4-6,11,14-15,23H,7-10,12-13H2,1-3H3,(H,24,25,26);1H