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3-methyl-8-[methyl-(phenylmethyl)amino]-7-octyl-purine-2,6-dione

3-methyl-8-[methyl-(phenylmethyl)amino]-7-octyl-purine-2,6-dione

Systemtic Name:3-methyl-8-[methyl-(phenylmethyl)amino]-7-octyl-purine-2,6-dione
Openeye Name:8-[benzyl(methyl)amino]-3-methyl-7-octyl-purine-2,6-dione
CAS Name:3-methyl-8-[methyl-(phenylmethyl)amino]-7-octylpurine-2,6-dione
IUPAC Name:8-[benzyl(methyl)amino]-3-methyl-7-octylpurine-2,6-dione
Traditional Name:8-[benzyl(methyl)amino]-3-methyl-7-octyl-xanthine
Formula: C22H31N5O2
MolecularWeight: 397.51384
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C


InChI

InChI=1S/C22H31N5O2/c1-4-5-6-7-8-12-15-27-18-19(26(3)22(29)24-20(18)28)23-21(27)25(2)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3,(H,24,28,29)


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