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

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]-3-[(2S)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-5-14(6-2)21-17(25)11-29-20-22-16-9-13(19(27)28-4)7-8-15(16)18(26)23(20)10-12(3)24/h7-9,12,14,24H,5-6,10-11H2,1-4H3,(H,21,25)/t12-/m0/s1