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

Systemtic Name: 2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-pyrimidin-4-amine hydrochloride Openeye Name: 2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienyl)pyrimidin-4-amine hydrochloride CAS Name: 2-(1-benzimidazolyl)-N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-4-pyrimidinamine hydrochloride IUPAC Name: 2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-ylpyrimidin-4-amine hydrochloride Traditional Name: [2-(benzimidazol-1-yl)-5-(2-thienyl)pyrimidin-4-yl]-piperonyl-amine hydrochloride Formula: C23H18ClN5O2S MolecularWeight: 463.93932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)N5C=NC6=CC=CC=C65.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)N5C=NC6=CC=CC=C65.Cl

InChI

InChI=1S/C23H17N5O2S.ClH/c1-2-5-18-17(4-1)26-13-28(18)23-25-12-16(21-6-3-9-31-21)22(27-23)24-11-15-7-8-19-20(10-15)30-14-29-19;/h1-10,12-13H,11,14H2,(H,24,25,27);1H