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8-ethyl-7-heptan-4-yl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione

8-ethyl-7-heptan-4-yl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione

Systemtic Name:8-ethyl-7-heptan-4-yl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione
Openeye Name:8-ethyl-1-methyl-7-(1-propylbutyl)-3-(2,4,6-trimethylphenyl)purine-2,6-dione
CAS Name:8-ethyl-7-heptan-4-yl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione
IUPAC Name:8-ethyl-7-heptan-4-yl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione
Traditional Name:8-ethyl-3-mesityl-1-methyl-7-(1-propylbutyl)xanthine
Formula: C24H34N4O2
MolecularWeight: 410.55236
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3C)C)C)C)CC


Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3C)C)C)C)CC


InChI

InChI=1S/C24H34N4O2/c1-8-11-18(12-9-2)27-19(10-3)25-22-21(27)23(29)26(7)24(30)28(22)20-16(5)13-15(4)14-17(20)6/h13-14,18H,8-12H2,1-7H3


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