(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetate CAS Name: 2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]acetic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate Traditional Name: 2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CC3=C(N(N=C3C)CC(C)C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CC3=C(N(N=C3C)CC(C)C)C

InChI

InChI=1S/C21H26N4O3/c1-12(2)10-25-15(5)17(14(4)24-25)9-19(26)28-11-18-22-20-13(3)7-6-8-16(20)21(27)23-18/h6-8,12H,9-11H2,1-5H3,(H,22,23,27)