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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-5-thiophen-2-yl-pyrimidin-4-amine hydrochloride Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-5-(2-thienyl)pyrimidin-4-amine hydrochloride CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1-imidazolyl)-5-thiophen-2-yl-4-pyrimidinamine hydrochloride IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylimidazol-1-yl)-5-thiophen-2-ylpyrimidin-4-amine hydrochloride Traditional Name: [2-(2-methylimidazol-1-yl)-5-(2-thienyl)pyrimidin-4-yl]-piperonyl-amine hydrochloride Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5.Cl

Isomeric SMILES

CC1=NC=CN1C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5.Cl

InChI

InChI=1S/C20H17N5O2S.ClH/c1-13-21-6-7-25(13)20-23-11-15(18-3-2-8-28-18)19(24-20)22-10-14-4-5-16-17(9-14)27-12-26-16;/h2-9,11H,10,12H2,1H3,(H,22,23,24);1H