2-methyl-6-[[[4-(2-methylphenyl)sulfonylphenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[[4-(2-methylphenyl)sulfonylphenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[[4-(o-tolylsulfonyl)-N-prop-2-ynyl-anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[4-(2-methylphenyl)sulfonyl-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[[4-(2-methylphenyl)sulfonyl-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[[4-(o-tolylsulfonyl)-N-propargyl-anilino]methyl]-1H-quinazolin-4-one Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)C2=CC=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)C2=CC=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C

InChI

InChI=1S/C26H23N3O3S/c1-4-15-29(17-20-9-14-24-23(16-20)26(30)28-19(3)27-24)21-10-12-22(13-11-21)33(31,32)25-8-6-5-7-18(25)2/h1,5-14,16H,15,17H2,2-3H3,(H,27,28,30)