3-methyl-7-nonyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-nonyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 3-methyl-7-nonyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 3-methyl-7-nonyl-8-(4-phenylpiperazino)xanthine Formula: C25H36N6O2 MolecularWeight: 452.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H36N6O2/c1-3-4-5-6-7-8-12-15-31-21-22(28(2)25(33)27-23(21)32)26-24(31)30-18-16-29(17-19-30)20-13-10-9-11-14-20/h9-11,13-14H,3-8,12,15-19H2,1-2H3,(H,27,32,33)