2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-4,7-dimethyl-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-2-(2,5-dimethylbenzyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3C=C(N4CC=C)C)N(C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C4N3C=C(N4CC=C)C)N(C2=O)C

InChI

InChI=1S/C21H23N5O2/c1-6-9-24-15(4)11-25-17-18(22-20(24)25)23(5)21(28)26(19(17)27)12-16-10-13(2)7-8-14(16)3/h6-8,10-11H,1,9,12H2,2-5H3