5-(4-tert-butylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-tert-butylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-2-(4-pyridyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-2-(4-pyridyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H19N3OS/c1-21(2,3)15-6-4-13(5-7-15)16-12-26-20-17(16)19(25)23-18(24-20)14-8-10-22-11-9-14/h4-12H,1-3H3,(H,23,24,25)