2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-ethyl-1H-purino[9,8-a]pyridin-4-one

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-ethyl-1H-purino[9,8-a]pyridin-4-one Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-ethyl-1H-purino[9,8-a]pyridin-4-one CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-9-ethyl-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-9-ethyl-1H-purino[9,8-a]pyridin-4-one Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-9-ethyl-1H-purino[9,8-a]pyridin-4-one Formula: C24H28N6O4S MolecularWeight: 496.58192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=NC3=C(N21)NC(=NC3=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

Isomeric SMILES

CCC1=CC=CC2=NC3=C(N21)NC(=NC3=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

InChI

InChI=1S/C24H28N6O4S/c1-4-16-7-6-8-20-25-21-23(30(16)20)26-22(27-24(21)31)18-15-17(9-10-19(18)34-5-2)35(32,33)29-13-11-28(3)12-14-29/h6-10,15H,4-5,11-14H2,1-3H3,(H,26,27,31)