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

Systemtic Name: 2-methyl-6-[[(4-piperazin-1-ylsulfonylphenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[(4-piperazin-1-ylsulfonyl-N-prop-2-ynyl-anilino)methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[4-(1-piperazinylsulfonyl)-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[(4-piperazin-1-ylsulfonyl-N-prop-2-ynylanilino)methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[(4-piperazinosulfonyl-N-propargyl-anilino)methyl]-1H-quinazolin-4-one Formula: C23H25N5O3S MolecularWeight: 451.5413

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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)N4CCNCC4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)S(=O)(=O)N4CCNCC4

InChI

InChI=1S/C23H25N5O3S/c1-3-12-27(16-18-4-9-22-21(15-18)23(29)26-17(2)25-22)19-5-7-20(8-6-19)32(30,31)28-13-10-24-11-14-28/h1,4-9,15,24H,10-14,16H2,2H3,(H,25,26,29)