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

Systemtic Name: methyl 2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=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)NCCC(C)C)O

InChI

InChI=1S/C20H27N3O5S/c1-12(2)7-8-21-17(25)11-29-20-22-16-9-14(19(27)28-4)5-6-15(16)18(26)23(20)10-13(3)24/h5-6,9,12-13,24H,7-8,10-11H2,1-4H3,(H,21,25)/t13-/m0/s1