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

Systemtic Name: 5-(3,4-dimethylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(3,4-dimethylphenyl)-6-methyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-6-methyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-12-4-7-16(10-13(12)2)19-14(3)29-22-20(19)21(26)23-18(24-22)11-15-5-8-17(9-6-15)25(27)28/h4-10H,11H2,1-3H3,(H,23,24,26)