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

Systemtic Name: 4-methyl-N-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 4-methyl-N-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 4-methyl-N-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 4-methyl-N-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C17H18N6O2S/c1-11-6-5-7-12-13(11)20-17(26-12)21-15-14(23(24)25)16(19-10-18-15)22-8-3-2-4-9-22/h5-7,10H,2-4,8-9H2,1H3,(H,18,19,20,21)