6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-4,7-dimethyl-6-p-anisyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3CC4=CC=C(C=C4)OC)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3CC4=CC=C(C=C4)OC)C)N(C1=O)C

InChI

InChI=1S/C22H27N5O3/c1-5-6-7-12-25-20(28)18-19(24(3)22(25)29)23-21-26(15(2)13-27(18)21)14-16-8-10-17(30-4)11-9-16/h8-11,13H,5-7,12,14H2,1-4H3