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

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

Systemtic Name:7-hexyl-3-methyl-8-[4-(phenylmethyl)piperazin-1-yl]purine-2,6-dione
Openeye Name:8-(4-benzylpiperazin-1-yl)-7-hexyl-3-methyl-purine-2,6-dione
CAS Name:7-hexyl-3-methyl-8-[4-(phenylmethyl)-1-piperazinyl]purine-2,6-dione
IUPAC Name:8-(4-benzylpiperazin-1-yl)-7-hexyl-3-methylpurine-2,6-dione
Traditional Name:8-(4-benzylpiperazino)-7-hexyl-3-methyl-xanthine
Formula: C23H32N6O2
MolecularWeight: 424.53918
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)CC4=CC=CC=C4)N(C(=O)NC2=O)C


InChI

InChI=1S/C23H32N6O2/c1-3-4-5-9-12-29-19-20(26(2)23(31)25-21(19)30)24-22(29)28-15-13-27(14-16-28)17-18-10-7-6-8-11-18/h6-8,10-11H,3-5,9,12-17H2,1-2H3,(H,25,30,31)


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