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

Systemtic Name: 8-bromanyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-purino[9,8-a]pyridin-4-one Openeye Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1H-purino[9,8-a]pyridin-4-one CAS Name: 8-bromo-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-purino[9,8-a]pyridin-4-one Traditional Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1H-purino[9,8-a]pyridin-4-one Formula: C22H23BrN6O4S MolecularWeight: 547.42482

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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=C(C=CC5=N4)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN6O4S/c1-3-33-17-6-5-15(34(31,32)28-10-8-27(2)9-11-28)12-16(17)20-25-21-19(22(30)26-20)24-18-7-4-14(23)13-29(18)21/h4-7,12-13H,3,8-11H2,1-2H3,(H,25,26,30)