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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethoxyphenyl)-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N3O5S/c1-28-17-8-5-14(9-18(17)29-2)16-11-30-20-19(16)21(25)23(12-22-20)10-13-3-6-15(7-4-13)24(26)27/h3-9,11-12H,10H2,1-2H3