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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-3-yl-5-thiophen-2-yl-pyrimidin-4-amine hydrochloride Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-pyridyl)-5-(2-thienyl)pyrimidin-4-amine hydrochloride CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-pyridinyl)-5-thiophen-2-yl-4-pyrimidinamine hydrochloride IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-3-yl-5-thiophen-2-ylpyrimidin-4-amine hydrochloride Traditional Name: piperonyl-[2-(3-pyridyl)-5-(2-thienyl)pyrimidin-4-yl]amine hydrochloride Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)C5=CN=CC=C5.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC=C3C4=CC=CS4)C5=CN=CC=C5.Cl

InChI

InChI=1S/C21H16N4O2S.ClH/c1-3-15(11-22-7-1)20-24-12-16(19-4-2-8-28-19)21(25-20)23-10-14-5-6-17-18(9-14)27-13-26-17;/h1-9,11-12H,10,13H2,(H,23,24,25);1H