5-(4-bromophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C19H12BrN3O3S MolecularWeight: 442.28588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H12BrN3O3S/c20-14-5-3-13(4-6-14)16-10-27-18-17(16)19(24)22(11-21-18)9-12-1-7-15(8-2-12)23(25)26/h1-8,10-11H,9H2