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

Systemtic Name: 8-bromanyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Openeye Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one CAS Name: 8-bromo-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Traditional Name: 8-bromo-2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Formula: C23H25BrN6O4S MolecularWeight: 561.4514

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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)C

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)C

InChI

InChI=1S/C23H25BrN6O4S/c1-4-34-18-7-5-15(35(32,33)29-11-9-28(3)10-12-29)13-16(18)21-26-22-20(23(31)27-21)25-19-8-6-17(24)14(2)30(19)22/h5-8,13H,4,9-12H2,1-3H3,(H,26,27,31)