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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2S/c1-11-6-7-13-14(9-11)27-18(21-13)22-16-15(24(25)26)17(20-10-19-16)23-8-4-3-5-12(23)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,20,21,22)