N-methyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: N-methyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N-methyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N-methyl-8-nitro-4-pyrimido[4,5-b][1,4]benzothiazepinamine IUPAC Name: N-methyl-8-nitropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: methyl-(8-nitropyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CNC1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C12H9N5O2S/c1-13-11-10-12(16-6-15-11)20-9-3-2-8(17(18)19)4-7(9)5-14-10/h2-6H,1H3,(H,13,15,16)