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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-13(2)15-5-7-16(8-6-15)18-12-29-22-20(18)21(26)23-19(24-22)11-14-3-9-17(10-4-14)25(27)28/h3-10,12-13H,11H2,1-2H3,(H,23,24,26)