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

Systemtic Name: 5-(4-methylphenyl)-3-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-nitrophenyl)methyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-3-[(3-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-3-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(3-nitrobenzyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H15N3O3S MolecularWeight: 377.4164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O3S/c1-13-5-7-15(8-6-13)17-11-27-19-18(17)20(24)22(12-21-19)10-14-3-2-4-16(9-14)23(25)26/h2-9,11-12H,10H2,1H3