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8-(4-butylpiperazin-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione

8-(4-butylpiperazin-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name:8-(4-butylpiperazin-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione
Openeye Name:8-(4-butylpiperazin-1-yl)-3-methyl-7-phenethyl-purine-2,6-dione
CAS Name:8-(4-butyl-1-piperazinyl)-3-methyl-7-phenethylpurine-2,6-dione
IUPAC Name:8-(4-butylpiperazin-1-yl)-3-methyl-7-phenethylpurine-2,6-dione
Traditional Name:8-(4-butylpiperazino)-3-methyl-7-phenethyl-xanthine
Formula: C22H30N6O2
MolecularWeight: 410.5126
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C


Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C


InChI

InChI=1S/C22H30N6O2/c1-3-4-11-26-13-15-27(16-14-26)21-23-19-18(20(29)24-22(30)25(19)2)28(21)12-10-17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3,(H,24,29,30)


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