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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-5-(4-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-chlorobenzyl)-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C19H12ClN3O3S MolecularWeight: 397.83488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN3O3S/c20-16-4-2-1-3-13(16)9-22-11-21-18-17(19(22)24)15(10-27-18)12-5-7-14(8-6-12)23(25)26/h1-8,10-11H,9H2