4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-6-chloranyl-pyrimidin-2-amine

Systemtic Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-6-chloranyl-pyrimidin-2-amine Openeye Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-6-chloro-pyrimidin-2-amine CAS Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-6-chloro-2-pyrimidinamine IUPAC Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-6-chloropyrimidin-2-amine Traditional Name: [4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-6-chloro-pyrimidin-2-yl]amine Formula: C17H19ClN6S MolecularWeight: 374.89096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=CC(=NC(=N4)N)Cl

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=CC(=NC(=N4)N)Cl

InChI

InChI=1S/C17H19ClN6S/c1-11(16-20-12-4-2-3-5-13(12)25-16)23-6-8-24(9-7-23)15-10-14(18)21-17(19)22-15/h2-5,10-11H,6-9H2,1H3,(H2,19,21,22)