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

Systemtic Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-ethoxypropyl)-4,7-dimethyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5O3/c1-4-30-14-8-12-25-16(2)15-27-18-19(23-21(25)27)24(3)22(29)26(20(18)28)13-11-17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3