methyl 2-[2-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(diisobutylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(diisobutylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-14(2)10-23(11-15(3)4)18(25)13-29-21-22-17-9-7-6-8-16(17)20(27)24(21)12-19(26)28-5/h6-9,14-15H,10-13H2,1-5H3