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

Systemtic Name: 8-ethyl-7-heptyl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione Openeye Name: 8-ethyl-7-heptyl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione CAS Name: 8-ethyl-7-heptyl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione IUPAC Name: 8-ethyl-7-heptyl-1-methyl-3-(2,4,6-trimethylphenyl)purine-2,6-dione Traditional Name: 8-ethyl-7-heptyl-3-mesityl-1-methyl-xanthine Formula: C24H34N4O2 MolecularWeight: 410.55236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3C)C)C)C)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3C)C)C)C)CC

InChI

InChI=1S/C24H34N4O2/c1-7-9-10-11-12-13-27-19(8-2)25-22-21(27)23(29)26(6)24(30)28(22)20-17(4)14-16(3)15-18(20)5/h14-15H,7-13H2,1-6H3