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

Systemtic Name: 3-[(3-bromophenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-bromophenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-bromophenyl)methyl]-5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-bromophenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-bromobenzyl)-5-(3-nitrophenyl)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(=C1)Br)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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