1-ethyl-3-[(4-nitrophenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 1-ethyl-3-[(4-nitrophenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-ethyl-3-[(4-nitrophenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 1-ethyl-3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 1-ethyl-3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-ethyl-3-(4-nitrobenzyl)-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-2-22-20-18(17(13-29-20)15-6-4-3-5-7-15)19(25)23(21(22)26)12-14-8-10-16(11-9-14)24(27)28/h3-11,13H,2,12H2,1H3