[2-azanyl-6-[2-(3-azanylazetidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

Systemtic Name: [2-azanyl-6-[2-(3-azanylazetidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone Openeye Name: [2-amino-6-[2-(3-aminoazetidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-isoindolin-2-yl-methanone CAS Name: [2-amino-6-[2-[(3-amino-1-azetidinyl)sulfonyl]phenyl]-4-quinazolinyl]-(1,3-dihydroisoindol-2-yl)methanone IUPAC Name: [2-amino-6-[2-(3-aminoazetidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone Traditional Name: [2-amino-6-[2-(3-aminoazetidin-1-yl)sulfonylphenyl]quinazolin-4-yl]-isoindolin-2-yl-methanone Formula: C26H24N6O3S MolecularWeight: 500.57216

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1S(=O)(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N)N

Isomeric SMILES

C1C(CN1S(=O)(=O)C2=CC=CC=C2C3=CC4=C(C=C3)N=C(N=C4C(=O)N5CC6=CC=CC=C6C5)N)N

InChI

InChI=1S/C26H24N6O3S/c27-19-14-32(15-19)36(34,35)23-8-4-3-7-20(23)16-9-10-22-21(11-16)24(30-26(28)29-22)25(33)31-12-17-5-1-2-6-18(17)13-31/h1-11,19H,12-15,27H2,(H2,28,29,30)