7-dodecyl-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-dodecyl-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-dodecyl-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-8-(4-ethyl-1-piperazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazino)-7-lauryl-3-methyl-xanthine Formula: C24H42N6O2 MolecularWeight: 446.62928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N3CCN(CC3)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H42N6O2/c1-4-6-7-8-9-10-11-12-13-14-15-30-20-21(27(3)24(32)26-22(20)31)25-23(30)29-18-16-28(5-2)17-19-29/h4-19H2,1-3H3,(H,26,31,32)