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

Systemtic Name: 1-butyl-3-[(4-nitrophenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-butyl-3-[(4-nitrophenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 1-butyl-3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 1-butyl-3-[(4-nitrophenyl)methyl]-5-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-butyl-3-(4-nitrobenzyl)-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-2-3-13-24-22-20(19(15-31-22)17-7-5-4-6-8-17)21(27)25(23(24)28)14-16-9-11-18(12-10-16)26(29)30/h4-12,15H,2-3,13-14H2,1H3