4-methoxy-8-nitro-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 4-methoxy-8-nitro-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-methoxy-8-nitro-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-methoxy-8-nitropyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-methoxy-8-nitropyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-methoxy-8-nitro-pyrimido[4,5-b][1,4]benzothiazepine Formula: C12H8N4O3S MolecularWeight: 288.28192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

COC1=C2C(=NC=N1)SC3=C(C=C(C=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C12H8N4O3S/c1-19-11-10-12(15-6-14-11)20-9-3-2-8(16(17)18)4-7(9)5-13-10/h2-6H,1H3