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

Systemtic Name: N-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2S/c1-2-12-7-5-6-10-23(12)17-15(24(25)26)16(19-11-20-17)22-18-21-13-8-3-4-9-14(13)27-18/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,19,20,21,22)