4,7-dimethyl-2-(3-phenylpropyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2-(3-phenylpropyl)-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-4,7-dimethyl-2-(3-phenylpropyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-(3-phenylpropyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(3-phenylpropyl)-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-4,7-dimethyl-2-(3-phenylpropyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N5O2/c1-4-12-24-15(2)14-26-17-18(22-20(24)26)23(3)21(28)25(19(17)27)13-8-11-16-9-6-5-7-10-16/h4-7,9-10,14H,1,8,11-13H2,2-3H3