2-[5,6-dimethyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[5,6-dimethyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[5,6-dimethyl-2-[(4-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[(4-nitrophenyl)methyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5,6-dimethyl-2-[(4-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5,6-dimethyl-2-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C17H14N3O5S- MolecularWeight: 372.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)[O-])C

InChI

InChI=1S/C17H15N3O5S/c1-9-10(2)26-16-15(9)17(23)19(8-14(21)22)13(18-16)7-11-3-5-12(6-4-11)20(24)25/h3-6H,7-8H2,1-2H3,(H,21,22)/p-1