3-[(2-methoxy-5-nitro-phenyl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methyl]-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2-methoxy-5-nitrophenyl)methyl]-5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-methoxy-5-nitro-benzyl)-5-methyl-6-phenyl-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=C(SC2=C1C(=O)N(C=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C(C=CC(=C3)[N+](=O)[O-])OC)C4=CC=CC=C4

InChI

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