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

Systemtic Name: N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[6-(1-benzimidazolyl)-5-nitro-4-pyrimidinyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(benzimidazol-1-yl)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C19H13N7O3S MolecularWeight: 419.41662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C19H13N7O3S/c1-29-11-6-7-13-15(8-11)30-19(23-13)24-17-16(26(27)28)18(21-9-20-17)25-10-22-12-4-2-3-5-14(12)25/h2-10H,1H3,(H,20,21,23,24)