4-[2-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]phenyl]sulfonylpiperazin-2-one

Systemtic Name: 4-[2-[2-azanyl-4-(1,3-dihydroisoindol-2-ylcarbonyl)quinazolin-6-yl]phenyl]sulfonylpiperazin-2-one Openeye Name: 4-[2-[2-amino-4-(isoindoline-2-carbonyl)quinazolin-6-yl]phenyl]sulfonylpiperazin-2-one CAS Name: 4-[2-[2-amino-4-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-quinazolinyl]phenyl]sulfonyl-2-piperazinone IUPAC Name: 4-[2-[2-amino-4-(1,3-dihydroisoindole-2-carbonyl)quinazolin-6-yl]phenyl]sulfonylpiperazin-2-one Traditional Name: 4-[2-[2-amino-4-(isoindoline-2-carbonyl)quinazolin-6-yl]phenyl]sulfonylpiperazin-2-one Formula: C27H24N6O4S MolecularWeight: 528.58226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N

InChI

InChI=1S/C27H24N6O4S/c28-27-30-22-10-9-17(20-7-3-4-8-23(20)38(36,37)33-12-11-29-24(34)16-33)13-21(22)25(31-27)26(35)32-14-18-5-1-2-6-19(18)15-32/h1-10,13H,11-12,14-16H2,(H,29,34)(H2,28,30,31)