8-ethyl-7-heptan-4-yl-3-(4-methoxy-2-methyl-5-pyridin-3-yl-phenyl)-1-methyl-purine-2,6-dione

Systemtic Name: 8-ethyl-7-heptan-4-yl-3-(4-methoxy-2-methyl-5-pyridin-3-yl-phenyl)-1-methyl-purine-2,6-dione Openeye Name: 8-ethyl-3-[4-methoxy-2-methyl-5-(3-pyridyl)phenyl]-1-methyl-7-(1-propylbutyl)purine-2,6-dione CAS Name: 8-ethyl-7-heptan-4-yl-3-[4-methoxy-2-methyl-5-(3-pyridinyl)phenyl]-1-methylpurine-2,6-dione IUPAC Name: 8-ethyl-7-heptan-4-yl-3-(4-methoxy-2-methyl-5-pyridin-3-ylphenyl)-1-methylpurine-2,6-dione Traditional Name: 8-ethyl-3-[4-methoxy-2-methyl-5-(3-pyridyl)phenyl]-1-methyl-7-(1-propylbutyl)xanthine Formula: C28H35N5O3 MolecularWeight: 489.6092

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C(=C3)C4=CN=CC=C4)OC)C)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C(=C3)C4=CN=CC=C4)OC)C)C)CC

InChI

InChI=1S/C28H35N5O3/c1-7-11-20(12-8-2)32-24(9-3)30-26-25(32)27(34)31(5)28(35)33(26)22-16-21(19-13-10-14-29-17-19)23(36-6)15-18(22)4/h10,13-17,20H,7-9,11-12H2,1-6H3