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

Systemtic Name: 5-(2-methoxy-5-methyl-phenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-methoxy-5-methyl-phenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-methoxy-5-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-methoxy-5-methylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-methyl-phenyl)-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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