methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl]sulfanyl-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C21H29N3O4S/c1-20(2,3)13-21(4,5)23-16(25)12-29-19-22-15-10-8-7-9-14(15)18(27)24(19)11-17(26)28-6/h7-10H,11-13H2,1-6H3,(H,23,25)