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

Systemtic Name: 2-methyl-6-[[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[[4-(4-methylpiperazin-1-yl)sulfonyl-N-prop-2-ynyl-anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[[4-(4-methylpiperazin-1-yl)sulfonyl-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[[4-(4-methylpiperazino)sulfonyl-N-propargyl-anilino]methyl]-1H-quinazolin-4-one Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H27N5O3S/c1-4-11-28(17-19-5-10-23-22(16-19)24(30)26-18(2)25-23)20-6-8-21(9-7-20)33(31,32)29-14-12-27(3)13-15-29/h1,5-10,16H,11-15,17H2,2-3H3,(H,25,26,30)