5,6-dimethyl-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(5-nitro-2-oxo-1-pyridyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(5-nitro-2-oxopyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-5-nitro-1-pyridyl)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H12N4O4S MolecularWeight: 332.33448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=C(C=CC3=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=C(C=CC3=O)[N+](=O)[O-])C

InChI

InChI=1S/C14H12N4O4S/c1-7-8(2)23-14-12(7)13(20)15-10(16-14)6-17-5-9(18(21)22)3-4-11(17)19/h3-5H,6H2,1-2H3,(H,15,16,20)