methyl 3-(2-methylpropyl)-2-[(2R)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-2-[(2R)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[(1R)-1-methyl-2-morpholino-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-2-[[(2R)-1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-2-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[(1R)-2-keto-1-methyl-2-morpholino-ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)N1CCOCC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

InChI

InChI=1S/C21H27N3O5S/c1-13(2)12-24-19(26)16-6-5-15(20(27)28-4)11-17(16)22-21(24)30-14(3)18(25)23-7-9-29-10-8-23/h5-6,11,13-14H,7-10,12H2,1-4H3/t14-/m1/s1