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

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-purino[9,8-a]pyridin-4-one Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-purino[9,8-a]pyridin-4-one CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-purino[9,8-a]pyridin-4-one Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1H-purino[9,8-a]pyridin-4-one Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)N5C=CC=CC5=N4

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)N5C=CC=CC5=N4

InChI

InChI=1S/C22H24N6O4S/c1-3-32-17-8-7-15(33(30,31)27-12-10-26(2)11-13-27)14-16(17)20-24-21-19(22(29)25-20)23-18-6-4-5-9-28(18)21/h4-9,14H,3,10-13H2,1-2H3,(H,24,25,29)