2-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(6-methyl-2-nitro-pyridin-3-yl)oxymethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(6-methyl-2-nitropyridin-3-yl)oxymethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(6-methyl-2-nitro-3-pyridyl)oxymethyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC2=NC(=O)C3=C(N2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c1-7-2-3-9(12(14-7)17(19)20)21-6-10-15-8-4-5-22-11(8)13(18)16-10/h2-5H,6H2,1H3,(H,15,16,18)