2-(5,6-dinitro-1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-amine

Systemtic Name: 2-(5,6-dinitro-1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-amine Openeye Name: 2-(5,6-dinitro-1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-amine CAS Name: 2-(5,6-dinitro-1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methyl-3-thieno[2,3-b]pyridinamine IUPAC Name: 2-(5,6-dinitro-1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine Traditional Name: [2-(5,6-dinitro-1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-3-yl]amine Formula: C17H14N6O5S MolecularWeight: 414.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C3=NC4=CC(=C(C=C4N3)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C3=NC4=CC(=C(C=C4N3)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C17H14N6O5S/c1-7-3-8(6-28-2)13-14(18)15(29-17(13)19-7)16-20-9-4-11(22(24)25)12(23(26)27)5-10(9)21-16/h3-5H,6,18H2,1-2H3,(H,20,21)