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

Systemtic Name: 5-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-ethoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-nitrobenzyl)-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

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