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

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenoxy)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H12ClN3O4S MolecularWeight: 413.83428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H12ClN3O4S/c20-14-8-12(23(25)26)6-7-15(14)27-9-16-21-18(24)17-13(10-28-19(17)22-16)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,21,22,24)