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

Systemtic Name: 5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-methoxyphenyl)-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O4S MolecularWeight: 393.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O4S/c1-27-16-8-4-14(5-9-16)17-11-28-19-18(17)20(24)22(12-21-19)10-13-2-6-15(7-3-13)23(25)26/h2-9,11-12H,10H2,1H3