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

Systemtic Name: methyl 2-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-12(2)11-24-18(26)15-9-8-14(19(27)28-7)10-16(15)22-20(24)29-13(3)17(25)23-21(4,5)6/h8-10,12-13H,11H2,1-7H3,(H,23,25)/t13-/m1/s1