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

Systemtic Name: 3-[(2-methylphenyl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-nitrophenyl)-3-(o-tolylmethyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2-methylphenyl)methyl]-5-(4-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2-methylphenyl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-methylbenzyl)-5-(4-nitrophenyl)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=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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