5,6-dimethyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-[2-(3-nitrophenyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-[2-(3-nitrophenyl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(3-nitrophenyl)ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-9-10(2)24-15-14(9)16(21)18(8-17-15)7-13(20)11-4-3-5-12(6-11)19(22)23/h3-6,8H,7H2,1-2H3