3-[(2-chloranyl-5-nitro-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[(2-chloro-5-nitrophenyl)methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-chloro-5-nitro-benzyl)thieno[3,2-d]pyrimidin-4-one Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CN2C=NC3=C(C2=O)SC=C3)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CN2C=NC3=C(C2=O)SC=C3)Cl

InChI

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