2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-methoxy-5H-purino[9,8-a]pyridin-10-ium

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-methoxy-5H-purino[9,8-a]pyridin-10-ium Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-methoxy-5H-purino[9,8-a]pyridin-10-ium CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-methoxy-5H-purino[9,8-a]pyridin-10-ium IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-methoxy-5H-purino[9,8-a]pyridin-10-ium Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-4-methoxy-5H-purino[9,8-a]pyridin-10-ium Formula: C23H27N6O4S+ MolecularWeight: 483.56328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(C(=N3)OC)NC5=CC=CC=[N+]54

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(C(=N3)OC)NC5=CC=CC=[N+]54

InChI

InChI=1S/C23H26N6O4S/c1-4-33-18-9-8-16(34(30,31)28-13-11-27(2)12-14-28)15-17(18)21-25-22-20(23(26-21)32-3)24-19-7-5-6-10-29(19)22/h5-10,15H,4,11-14H2,1-3H3/p+1