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

Systemtic Name: 5-(3,4-dimethylphenyl)-6-methyl-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-6-methyl-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-6-methyl-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-6-methyl-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-6-methyl-3-(4-nitrobenzyl)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)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

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