N,N,6-trimethyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: N,N,6-trimethyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: N,N,6-trimethyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: N,N,6-trimethyl-8-nitro-4-pyrimido[4,5-b][1,4]benzothiazepinamine IUPAC Name: N,N,6-trimethyl-8-nitropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: dimethyl-(6-methyl-8-nitro-pyrimido[4,5-b][1,4]benzothiazepin-4-yl)amine Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N=CN=C2SC3=C1C=C(C=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC1=NC2=C(N=CN=C2SC3=C1C=C(C=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C14H13N5O2S/c1-8-10-6-9(19(20)21)4-5-11(10)22-14-12(17-8)13(18(2)3)15-7-16-14/h4-7H,1-3H3