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

Systemtic Name: 4,7-dimethyl-6-phenethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-4,7-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-phenethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-phenethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-4,7-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-4-11-24-18(26)16-17(22(3)20(24)27)21-19-23(14(2)13-25(16)19)12-10-15-8-6-5-7-9-15/h4-9,13H,1,10-12H2,2-3H3