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

Systemtic Name: 5-(4-bromophenyl)-2-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(5-nitro-2-oxo-1-pyridyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(5-nitro-2-oxo-1-pyridinyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(5-nitro-2-oxopyridin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(2-keto-5-nitro-1-pyridyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H11BrN4O4S MolecularWeight: 459.27334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CN4C=C(C=CC4=O)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=C2C(=O)NC(=N3)CN4C=C(C=CC4=O)[N+](=O)[O-])Br

InChI

InChI=1S/C18H11BrN4O4S/c19-11-3-1-10(2-4-11)13-9-28-18-16(13)17(25)20-14(21-18)8-22-7-12(23(26)27)5-6-15(22)24/h1-7,9H,8H2,(H,20,21,25)