N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine hydrochloride

Systemtic Name: N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine hydrochloride Openeye Name: N-[4-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine hydrochloride CAS Name: N-[4-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine hydrochloride IUPAC Name: N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine hydrochloride Traditional Name: 1,3-benzothiazol-6-yl-[4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]amine hydrochloride Formula: C20H20ClN7S MolecularWeight: 425.9377

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5.Cl

InChI

InChI=1S/C20H19N7S.ClH/c1-4-19(27-9-7-21-8-10-27)23-12-14(1)16-5-6-22-20(26-16)25-15-2-3-17-18(11-15)28-13-24-17;/h1-6,11-13,21H,7-10H2,(H,22,25,26);1H