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

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Formula: C23H26N6O4S MolecularWeight: 482.55534

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

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