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

Systemtic Name: methyl 4-oxidanylidene-2-[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]sulfanyl-3-(2-oxidanylpropyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(2-hydroxypropyl)-2-[2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-hydroxypropyl)-4-oxo-2-[[1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxypropyl)-4-oxo-2-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-hydroxypropyl)-2-[[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O

InChI

InChI=1S/C22H27N5O5S/c1-12(2)27-18(8-9-23-27)25-19(29)14(4)33-22-24-17-10-15(21(31)32-5)6-7-16(17)20(30)26(22)11-13(3)28/h6-10,12-14,28H,11H2,1-5H3,(H,25,29)