6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-methoxypropyl)-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCCOC)N(C(=O)N(C3=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCCOC)N(C(=O)N(C3=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N5O4/c1-14-15(2)27-18-19(23-21(27)25(14)11-8-12-31-4)24(3)22(30)26(20(18)29)13-17(28)16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3