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

Systemtic Name: methyl 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(tert-butylamino)-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)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-20(2,3)22-16(24)12-29-19-21-15-11-13(18(26)28-5)7-8-14(15)17(25)23(19)9-6-10-27-4/h7-8,11H,6,9-10,12H2,1-5H3,(H,22,24)