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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-5-9-23-14(3)11-24-16-17(21-19(23)24)22(4)20(27)25(18(16)26)12-15-8-6-7-13(2)10-15/h5-8,10-11H,1,9,12H2,2-4H3