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

Systemtic Name: 3-[(4-nitrophenyl)methyl]-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 3-[(4-nitrophenyl)methyl]-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-[(4-nitrophenyl)methyl]-1-phenethyl-5-phenylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-[(4-nitrophenyl)methyl]-1-phenethyl-5-phenylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-(4-nitrobenzyl)-1-phenethyl-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=CS3)C4=CC=CC=C4)C(=O)N(C2=O)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=CS3)C4=CC=CC=C4)C(=O)N(C2=O)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N3O4S/c31-25-24-23(21-9-5-2-6-10-21)18-35-26(24)28(16-15-19-7-3-1-4-8-19)27(32)29(25)17-20-11-13-22(14-12-20)30(33)34/h1-14,18H,15-17H2