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

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[(1R)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-isobutyl-2-[[(1R)-2-(isopropylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-11(2)10-23-18(25)15-8-7-14(19(26)27-6)9-16(15)22-20(23)28-13(5)17(24)21-12(3)4/h7-9,11-13H,10H2,1-6H3,(H,21,24)/t13-/m1/s1