8-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-7H-purine-2,6-dione Openeye Name: 8-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-7H-purine-2,6-dione CAS Name: 8-[2-butoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-[2-butoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-7H-purine-2,6-dione Traditional Name: 8-[2-butoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-propyl-7H-purine-2,6-quinone Formula: C23H32N6O5S MolecularWeight: 504.60238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)NC(=O)N4CCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC4=C(N3)C(=O)NC(=O)N4CCC

InChI

InChI=1S/C23H32N6O5S/c1-4-6-14-34-18-8-7-16(35(32,33)28-12-10-27(3)11-13-28)15-17(18)20-24-19-21(25-20)29(9-5-2)23(31)26-22(19)30/h7-8,15H,4-6,9-14H2,1-3H3,(H,24,25)(H,26,30,31)