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

Systemtic Name: 4,7,8-trimethyl-2-[(2-methylphenyl)methyl]-6-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-allyl-4,7,8-trimethyl-2-(o-tolylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-2-[(2-methylphenyl)methyl]-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-2-[(2-methylphenyl)methyl]-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-allyl-4,7,8-trimethyl-2-(2-methylbenzyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=C4N3C(=C(N4CC=C)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=C4N3C(=C(N4CC=C)C)C)N(C2=O)C

InChI

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