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

Systemtic Name: 5-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3,4-dimethylphenyl)-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-12-3-6-15(9-13(12)2)17-11-28-21-19(17)20(25)22-18(23-21)10-14-4-7-16(8-5-14)24(26)27/h3-9,11H,10H2,1-2H3,(H,22,23,25)