3-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(3-nitrophenyl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[(3-nitrophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(3-nitrobenzyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H14N4O3S2 MolecularWeight: 410.46946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])N

InChI

InChI=1S/C19H14N4O3S2/c20-22-18(24)16-15(13-6-2-1-3-7-13)11-27-17(16)21-19(22)28-10-12-5-4-8-14(9-12)23(25)26/h1-9,11H,10,20H2