methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NCC=C

Isomeric SMILES

C[C@H](C(=O)NCC=C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)C

InChI

InChI=1S/C20H25N3O4S/c1-6-9-21-17(24)13(4)28-20-22-16-10-14(19(26)27-5)7-8-15(16)18(25)23(20)11-12(2)3/h6-8,10,12-13H,1,9,11H2,2-5H3,(H,21,24)/t13-/m1/s1