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

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-tert-butylbenzyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O3S/c1-23(2,3)17-9-7-15(8-10-17)12-25-14-24-21-20(22(25)27)19(13-30-21)16-5-4-6-18(11-16)26(28)29/h4-11,13-14H,12H2,1-3H3