7-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]carbonyl-3-methyl-2-methylsulfanyl-quinazolin-4-one

Systemtic Name: 7-[2-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylpyrazolidin-1-yl]carbonyl-3-methyl-2-methylsulfanyl-quinazolin-4-one Openeye Name: 7-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidine-1-carbonyl]-3-methyl-2-methylsulfanyl-quinazolin-4-one CAS Name: 7-[[2-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-3-methyl-2-(methylthio)-4-quinazolinone IUPAC Name: 7-[2-(5-tert-butyl-2-methylpyrazole-3-carbonyl)pyrazolidine-1-carbonyl]-3-methyl-2-methylsulfanylquinazolin-4-one Traditional Name: 7-[2-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)pyrazolidine-1-carbonyl]-3-methyl-2-(methylthio)quinazolin-4-one Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SC)C)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN2C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SC)C)C

InChI

InChI=1S/C23H28N6O3S/c1-23(2,3)18-13-17(27(5)25-18)21(32)29-11-7-10-28(29)19(30)14-8-9-15-16(12-14)24-22(33-6)26(4)20(15)31/h8-9,12-13H,7,10-11H2,1-6H3