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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4OCC=C)N(C(=O)N(C3=O)CC=C)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=CC=C4OCC=C)N(C(=O)N(C3=O)CC=C)C

InChI

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