6-(3-methylphenyl)sulfonyl-4-morpholin-4-yl-N-[(E)-(phenylmethylidene)amino]quinazolin-2-amine

Systemtic Name: 6-(3-methylphenyl)sulfonyl-4-morpholin-4-yl-N-[(E)-(phenylmethylidene)amino]quinazolin-2-amine Openeye Name: N-[(E)-benzylideneamino]-4-morpholino-6-(m-tolylsulfonyl)quinazolin-2-amine CAS Name: 6-(3-methylphenyl)sulfonyl-4-(4-morpholinyl)-N-[(E)-(phenylmethylene)amino]-2-quinazolinamine IUPAC Name: N-[(E)-benzylideneamino]-6-(3-methylphenyl)sulfonyl-4-morpholin-4-ylquinazolin-2-amine Traditional Name: [(E)-benzalamino]-[4-morpholino-6-(m-tolylsulfonyl)quinazolin-2-yl]amine Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N4CCOCC4)NN=CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N4CCOCC4)N/N=C/C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3S/c1-19-6-5-9-21(16-19)35(32,33)22-10-11-24-23(17-22)25(31-12-14-34-15-13-31)29-26(28-24)30-27-18-20-7-3-2-4-8-20/h2-11,16-18H,12-15H2,1H3,(H,28,29,30)/b27-18+