7-hexadecyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-piperazino-xanthine Formula: C26H46N6O2 MolecularWeight: 474.68244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H46N6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-22-23(30(2)26(34)29-24(22)33)28-25(32)31-20-17-27-18-21-31/h27H,3-21H2,1-2H3,(H,29,33,34)