[2-azanyl-3-[[2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]amino]-3-oxidanylidene-propyl] nitrate

Systemtic Name: [2-azanyl-3-[[2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]amino]-3-oxidanylidene-propyl] nitrate Openeye Name: [2-amino-3-[[2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl]amino]-3-oxo-propyl] nitrate CAS Name: nitric acid [2-amino-3-[[2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]amino]-3-oxopropyl] ester IUPAC Name: [2-amino-3-[[2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl]amino]-3-oxopropyl] nitrate Traditional Name: nitric acid [2-amino-3-keto-3-[[2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl]amino]propyl] ester Formula: C18H20N6O6S MolecularWeight: 448.453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)NC(=O)C(CO[N+](=O)[O-])N)OC

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)NC(=O)C(CO[N+](=O)[O-])N)OC

InChI

InChI=1S/C18H20N6O6S/c1-10-15(20-6-5-16(10)29-2)9-31(28)18-22-13-4-3-11(7-14(13)23-18)21-17(25)12(19)8-30-24(26)27/h3-7,12H,8-9,19H2,1-2H3,(H,21,25)(H,22,23)