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

Systemtic Name: 8-ethyl-7-heptan-4-yl-3-[4-methoxy-2-(pyridin-3-ylmethyl)phenyl]-1-methyl-2H-purin-6-one Openeye Name: 8-ethyl-3-[4-methoxy-2-(3-pyridylmethyl)phenyl]-1-methyl-7-(1-propylbutyl)-2H-purin-6-one CAS Name: 8-ethyl-7-heptan-4-yl-3-[4-methoxy-2-(3-pyridinylmethyl)phenyl]-1-methyl-2H-purin-6-one IUPAC Name: 8-ethyl-7-heptan-4-yl-3-[4-methoxy-2-(pyridin-3-ylmethyl)phenyl]-1-methyl-2H-purin-6-one Traditional Name: 8-ethyl-3-[4-methoxy-2-(3-pyridylmethyl)phenyl]-1-methyl-7-(1-propylbutyl)-2H-purin-6-one Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)CC4=CN=CC=C4)C)CC

Isomeric SMILES

CCCC(CCC)N1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)OC)CC4=CN=CC=C4)C)CC

InChI

InChI=1S/C28H37N5O2/c1-6-10-22(11-7-2)33-25(8-3)30-27-26(33)28(34)31(4)19-32(27)24-14-13-23(35-5)17-21(24)16-20-12-9-15-29-18-20/h9,12-15,17-18,22H,6-8,10-11,16,19H2,1-5H3