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

Systemtic Name: 2-[[(3-nitrophenyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-nitroanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-nitroanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-nitroanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3-nitroanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O3S/c24-18-17-15(12-5-2-1-3-6-12)11-27-19(17)22-16(21-18)10-20-13-7-4-8-14(9-13)23(25)26/h1-9,11,20H,10H2,(H,21,22,24)