(1-ethylpiperidin-4-yl)-[2-[(phenylmethyl)amino]pyrimidin-5-yl]methanone dihydrochloride

Systemtic Name: (1-ethylpiperidin-4-yl)-[2-[(phenylmethyl)amino]pyrimidin-5-yl]methanone dihydrochloride Openeye Name: [2-(benzylamino)pyrimidin-5-yl]-(1-ethyl-4-piperidyl)methanone dihydrochloride CAS Name: (1-ethyl-4-piperidinyl)-[2-[(phenylmethyl)amino]-5-pyrimidinyl]methanone dihydrochloride IUPAC Name: [2-(benzylamino)pyrimidin-5-yl]-(1-ethylpiperidin-4-yl)methanone dihydrochloride Traditional Name: [2-(benzylamino)pyrimidin-5-yl]-(1-ethyl-4-piperidyl)methanone dihydrochloride Formula: C19H26Cl2N4O MolecularWeight: 397.34194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C(=O)C2=CN=C(N=C2)NCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCN1CCC(CC1)C(=O)C2=CN=C(N=C2)NCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C19H24N4O.2ClH/c1-2-23-10-8-16(9-11-23)18(24)17-13-21-19(22-14-17)20-12-15-6-4-3-5-7-15;;/h3-7,13-14,16H,2,8-12H2,1H3,(H,20,21,22);2*1H