N-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: N-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: N-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c23-22(24)13-14(17-10-18-15(13)21-8-4-1-5-9-21)20-16-19-11-6-2-3-7-12(11)25-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18,19,20)