methyl 3-(3-methoxypropyl)-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-methoxypropyl)-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxypropyl)-2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(isobutylamino)-2-keto-ethyl]thio]-4-keto-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCOC

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCOC

InChI

InChI=1S/C20H27N3O5S/c1-13(2)11-21-17(24)12-29-20-22-16-10-14(19(26)28-4)6-7-15(16)18(25)23(20)8-5-9-27-3/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,21,24)