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

Systemtic Name: 4,7,8-trimethyl-2-phenacyl-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-phenacyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-phenacyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CC=C)N(C(=O)N(C3=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H21N5O3/c1-5-11-24-13(2)14(3)26-17-18(22-20(24)26)23(4)21(29)25(19(17)28)12-16(27)15-9-7-6-8-10-15/h5-10H,1,11-12H2,2-4H3