methyl 2-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-[[(1S)-2-(isobutylamino)-2-keto-1-methyl-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)CNC(=O)C(C)SC1=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=C1S[C@@H](C)C(=O)NCC(C)C)O

InChI

InChI=1S/C20H27N3O5S/c1-11(2)9-21-17(25)13(4)29-20-22-16-8-14(19(27)28-5)6-7-15(16)18(26)23(20)10-12(3)24/h6-8,11-13,24H,9-10H2,1-5H3,(H,21,25)/t12-,13-/m0/s1