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

Systemtic Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-benzyl-6-(3-ethoxypropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-benzyl-6-(3-ethoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-benzyl-6-(3-ethoxypropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5O3/c1-4-29-12-8-11-24-15(2)13-25-17-18(22-20(24)25)23(3)21(28)26(19(17)27)14-16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3