N4-(1,3-benzodioxol-5-yl)-N2-methyl-N2-thiophen-2-yl-pyrimidine-2,4-diamine hydrochloride

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N2-methyl-N2-thiophen-2-yl-pyrimidine-2,4-diamine hydrochloride Openeye Name: N4-(1,3-benzodioxol-5-yl)-N2-methyl-N2-(2-thienyl)pyrimidine-2,4-diamine hydrochloride CAS Name: N4-(1,3-benzodioxol-5-yl)-N2-methyl-N2-thiophen-2-ylpyrimidine-2,4-diamine hydrochloride IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-2-N-methyl-2-N-thiophen-2-ylpyrimidine-2,4-diamine hydrochloride Traditional Name: [4-(1,3-benzodioxol-5-ylamino)pyrimidin-2-yl]-methyl-(2-thienyl)amine hydrochloride Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CS1)C2=NC=CC(=N2)NC3=CC4=C(C=C3)OCO4.Cl

Isomeric SMILES

CN(C1=CC=CS1)C2=NC=CC(=N2)NC3=CC4=C(C=C3)OCO4.Cl

InChI

InChI=1S/C16H14N4O2S.ClH/c1-20(15-3-2-8-23-15)16-17-7-6-14(19-16)18-11-4-5-12-13(9-11)22-10-21-12;/h2-9H,10H2,1H3,(H,17,18,19);1H