6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-homoveratryl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)CC(=O)C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)CC(=O)C)C

InChI

InChI=1S/C22H25N5O5/c1-13-11-26-18-19(24(3)22(30)27(20(18)29)12-14(2)28)23-21(26)25(13)9-8-15-6-7-16(31-4)17(10-15)32-5/h6-7,10-11H,8-9,12H2,1-5H3