6-methoxy-N-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine

Systemtic Name: 6-methoxy-N-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-(6-morpholino-5-nitro-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C16H16N6O4S MolecularWeight: 388.40104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C16H16N6O4S/c1-25-10-2-3-11-12(8-10)27-16(19-11)20-14-13(22(23)24)15(18-9-17-14)21-4-6-26-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,17,18,19,20)