3-methyl-7-nonyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione

Systemtic Name: 3-methyl-7-nonyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperazin-1-yl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperazino)-3-methyl-7-nonyl-xanthine Formula: C26H38N6O2 MolecularWeight: 466.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H38N6O2/c1-3-4-5-6-7-8-12-15-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-18-16-30(17-19-31)20-21-13-10-9-11-14-21/h9-11,13-14H,3-8,12,15-20H2,1-2H3,(H,28,33,34)