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

Systemtic Name: 8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methyl-pyridin-3-yl)-1-methyl-purine-2,6-dione Openeye Name: 8-ethyl-3-(6-methoxy-2-methyl-3-pyridyl)-1-methyl-7-(1-propylbutyl)purine-2,6-dione CAS Name: 8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpurine-2,6-dione IUPAC Name: 8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methylpyridin-3-yl)-1-methylpurine-2,6-dione Traditional Name: 8-ethyl-3-(6-methoxy-2-methyl-3-pyridyl)-1-methyl-7-(1-propylbutyl)xanthine Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(N=C(C=C3)OC)C)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(N=C(C=C3)OC)C)C)CC

InChI

InChI=1S/C22H31N5O3/c1-7-10-15(11-8-2)26-17(9-3)24-20-19(26)21(28)25(5)22(29)27(20)16-12-13-18(30-6)23-14(16)4/h12-13,15H,7-11H2,1-6H3