6-diazanyl-N-methyl-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine

Systemtic Name: 6-diazanyl-N-methyl-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Openeye Name: 6-hydrazino-N-methyl-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine CAS Name: 6-hydrazinyl-N-methyl-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine IUPAC Name: 6-hydrazinyl-N-methyl-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-amine Traditional Name: (6-hydrazino-8-nitro-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepin-4-yl)-methyl-amine Formula: C12H13N7O2S MolecularWeight: 319.34232

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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)NN

Isomeric SMILES

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

InChI

InChI=1S/C12H13N7O2S/c1-14-11-9-12(16-5-15-11)22-8-3-2-6(19(20)21)4-7(8)10(17-9)18-13/h2-5,10,17-18H,13H2,1H3,(H,14,15,16)