N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-2-imidazol-1-yl-pyrimidin-4-amine hydrochloride

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-2-imidazol-1-yl-pyrimidin-4-amine hydrochloride Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-2-imidazol-1-yl-pyrimidin-4-amine hydrochloride CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-2-(1-imidazolyl)-4-pyrimidinamine hydrochloride IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-2-imidazol-1-ylpyrimidin-4-amine hydrochloride Traditional Name: [5-(4-chlorophenyl)-2-imidazol-1-yl-pyrimidin-4-yl]-piperonyl-amine hydrochloride Formula: C21H17Cl2N5O2 MolecularWeight: 442.29798

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=C(C=C4)Cl)N5C=CN=C5.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=C(C=C4)Cl)N5C=CN=C5.Cl

InChI

InChI=1S/C21H16ClN5O2.ClH/c22-16-4-2-15(3-5-16)17-11-25-21(27-8-7-23-12-27)26-20(17)24-10-14-1-6-18-19(9-14)29-13-28-18;/h1-9,11-12H,10,13H2,(H,24,25,26);1H