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

Systemtic Name: N-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C19H22N6O2S MolecularWeight: 398.48198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O2S/c1-3-13-6-4-5-9-24(13)18-16(25(26)27)17(20-11-21-18)23-19-22-14-8-7-12(2)10-15(14)28-19/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,20,21,22,23)