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

Systemtic Name: 3-methyl-7-nonyl-8-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-dione Openeye Name: 8-(4-benzyl-1-piperidyl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione IUPAC Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(4-benzylpiperidino)-3-methyl-7-nonyl-xanthine Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C27H39N5O2/c1-3-4-5-6-7-8-12-17-32-23-24(30(2)27(34)29-25(23)33)28-26(32)31-18-15-22(16-19-31)20-21-13-10-9-11-14-21/h9-11,13-14,22H,3-8,12,15-20H2,1-2H3,(H,29,33,34)