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

Systemtic Name: N,N-dimethyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N,N-dimethyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N,N-dimethyl-8-nitro-4-pyrimido[4,5-b][1,4]benzothiazepinamine IUPAC Name: N,N-dimethyl-8-nitropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: dimethyl-(8-nitropyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CN(C)C1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C13H11N5O2S/c1-17(2)12-11-13(16-7-15-12)21-10-4-3-9(18(19)20)5-8(10)6-14-11/h3-7H,1-2H3