6-(4-ethoxyphenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-ethoxyphenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-ethoxyphenyl)-2-isopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-ethoxyphenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-ethoxyphenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-4,7-dimethyl-6-p-phenetyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C)C

InChI

InChI=1S/C22H27N5O3/c1-6-30-17-9-7-16(8-10-17)27-15(4)13-26-18-19(23-21(26)27)24(5)22(29)25(20(18)28)12-11-14(2)3/h7-10,13-14H,6,11-12H2,1-5H3