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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H](C)O

InChI

InChI=1S/C19H25N3O5S/c1-4-5-8-20-16(24)11-28-19-21-15-9-13(18(26)27-3)6-7-14(15)17(25)22(19)10-12(2)23/h6-7,9,12,23H,4-5,8,10-11H2,1-3H3,(H,20,24)/t12-/m0/s1