2-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylquinazolin-4-olate Openeye Name: 2-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]thio]-4-quinazolinolate IUPAC Name: 2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfanylquinazolin-4-olate Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]thio]quinazolin-4-olate Formula: C21H21N4O3S- MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-14(29-21-23-18-5-3-2-4-17(18)20(27)24-21)19(26)22-15-6-8-16(9-7-15)25-10-12-28-13-11-25/h2-9,14H,10-13H2,1H3,(H,22,26)(H,23,24,27)/p-1/t14-/m1/s1