8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methyl-pyridin-3-yl)-1-methyl-2H-purin-6-one

Systemtic Name: 8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methyl-pyridin-3-yl)-1-methyl-2H-purin-6-one Openeye Name: 8-ethyl-3-(6-methoxy-2-methyl-3-pyridyl)-1-methyl-7-(1-propylbutyl)-2H-purin-6-one CAS Name: 8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methyl-2H-purin-6-one IUPAC Name: 8-ethyl-7-heptan-4-yl-3-(6-methoxy-2-methylpyridin-3-yl)-1-methyl-2H-purin-6-one Traditional Name: 8-ethyl-3-(6-methoxy-2-methyl-3-pyridyl)-1-methyl-7-(1-propylbutyl)-2H-purin-6-one Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(CN2C3=C(N=C(C=C3)OC)C)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(CN2C3=C(N=C(C=C3)OC)C)C)CC

InChI

InChI=1S/C22H33N5O2/c1-7-10-16(11-8-2)27-18(9-3)24-21-20(27)22(28)25(5)14-26(21)17-12-13-19(29-6)23-15(17)4/h12-13,16H,7-11,14H2,1-6H3