pyridin-4-ylmethyl 1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]cyclohex-3-ene-1-carboxylate dihydrochloride

Systemtic Name: pyridin-4-ylmethyl 1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]cyclohex-3-ene-1-carboxylate dihydrochloride Openeye Name: 4-pyridylmethyl 1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]cyclohex-3-ene-1-carboxylate dihydrochloride CAS Name: 1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-1-cyclohex-3-enecarboxylic acid pyridin-4-ylmethyl ester dihydrochloride IUPAC Name: pyridin-4-ylmethyl 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]cyclohex-3-ene-1-carboxylate dihydrochloride Traditional Name: 1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]cyclohex-3-ene-1-carboxylic acid 4-pyridylmethyl ester dihydrochloride Formula: C19H24Cl2N4O2 MolecularWeight: 411.32546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CC2(CCC=CC2)C(=O)OCC3=CC=NC=C3.Cl.Cl

Isomeric SMILES

CC1=NC=C(C(=N1)N)CC2(CCC=CC2)C(=O)OCC3=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C19H22N4O2.2ClH/c1-14-22-12-16(17(20)23-14)11-19(7-3-2-4-8-19)18(24)25-13-15-5-9-21-10-6-15;;/h2-3,5-6,9-10,12H,4,7-8,11,13H2,1H3,(H2,20,22,23);2*1H