N-[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-[6-(2-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[6-(tert-butylhydrazo)-5-nitro-4-pyrimidinyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C16H19N7O3S MolecularWeight: 389.43216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C16H19N7O3S/c1-16(2,3)22-21-14-12(23(24)25)13(17-8-18-14)20-15-19-10-6-5-9(26-4)7-11(10)27-15/h5-8,22H,1-4H3,(H2,17,18,19,20,21)