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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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