3-[(4-chloranyl-3-nitro-phenyl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(4-chloro-3-nitro-phenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(4-chloro-3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(4-chloro-3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chloro-3-nitro-benzyl)thieno[2,3-d]pyrimidin-4-one Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClN3O3S/c14-10-2-1-8(5-11(10)17(19)20)6-16-7-15-12-9(13(16)18)3-4-21-12/h1-5,7H,6H2