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

Systemtic Name: 5-(2-methoxy-5-methyl-phenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-methoxy-5-methyl-phenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-methoxy-5-methylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-methoxy-5-methylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-methyl-phenyl)-6-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N3O4S/c1-12-4-9-17(29-3)16(10-12)19-13(2)30-22-20(19)21(26)23-18(24-22)11-14-5-7-15(8-6-14)25(27)28/h4-10H,11H2,1-3H3,(H,23,24,26)