methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-[[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=NN3C(C)C)O

InChI

InChI=1S/C21H25N5O5S/c1-12(2)26-17(7-8-22-26)24-18(28)11-32-21-23-16-9-14(20(30)31-4)5-6-15(16)19(29)25(21)10-13(3)27/h5-9,12-13,27H,10-11H2,1-4H3,(H,24,28)/t13-/m0/s1