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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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