methyl 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-[[2-(isobutylamino)-2-keto-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)CNC(=O)CSC1=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=C1SCC(=O)NCC(C)C)O

InChI

InChI=1S/C19H25N3O5S/c1-11(2)8-20-16(24)10-28-19-21-15-7-13(18(26)27-4)5-6-14(15)17(25)22(19)9-12(3)23/h5-7,11-12,23H,8-10H2,1-4H3,(H,20,24)/t12-/m0/s1