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

Systemtic Name: methyl 2-[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1,1-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(tert-amylamino)-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(C)(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

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

InChI

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