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

Systemtic Name: methyl 4-oxidanylidene-2-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-[[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@@H](C)C(=O)NC(C)C)O

InChI

InChI=1S/C19H25N3O5S/c1-10(2)20-16(24)12(4)28-19-21-15-8-13(18(26)27-5)6-7-14(15)17(25)22(19)9-11(3)23/h6-8,10-12,23H,9H2,1-5H3,(H,20,24)/t11-,12-/m0/s1