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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O2S/c1-11-5-4-8-22(9-11)16-14(23(24)25)15(18-10-19-16)21-17-20-12-6-2-3-7-13(12)26-17/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,19,20,21)