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

Systemtic Name: 5-(4-ethylphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-ethylphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-ethylphenyl)-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-ethylphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-ethylphenyl)-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S/c1-2-14-3-7-16(8-4-14)18-12-28-20-19(18)21(25)23(13-22-20)11-15-5-9-17(10-6-15)24(26)27/h3-10,12-13H,2,11H2,1H3