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

Systemtic Name: 5-(furan-2-yl)-2-[[(3-nitrophenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(3-nitroanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[(3-nitroanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(3-nitroanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[(3-nitroanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C17H12N4O4S/c22-16-15-12(13-5-2-6-25-13)9-26-17(15)20-14(19-16)8-18-10-3-1-4-11(7-10)21(23)24/h1-7,9,18H,8H2,(H,19,20,22)