2-[(3,4-dimethoxyphenyl)methyl]-9-[4,4-dimethylpentyl(methyl)amino]-3H-purin-6-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[4,4-dimethylpentyl(methyl)amino]-3H-purin-6-one Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[4,4-dimethylpentyl(methyl)amino]-3H-purin-6-one CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[4,4-dimethylpentyl(methyl)amino]-3H-purin-6-one IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-[4,4-dimethylpentyl(methyl)amino]-3H-purin-6-one Traditional Name: 9-[4,4-dimethylpentyl(methyl)amino]-2-veratryl-3H-purin-6-one Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCN(C)N1C=NC2=C1NC(=NC2=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)CCCN(C)N1C=NC2=C1NC(=NC2=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H31N5O3/c1-22(2,3)10-7-11-26(4)27-14-23-19-20(27)24-18(25-21(19)28)13-15-8-9-16(29-5)17(12-15)30-6/h8-9,12,14H,7,10-11,13H2,1-6H3,(H,24,25,28)