6-(4-butylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-butylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(4-butylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4-methyl-2-prop-2-enyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(4-butylphenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C

InChI

InChI=1S/C21H25N5O2/c1-4-6-7-15-8-10-16(11-9-15)24-13-14-25-17-18(22-20(24)25)23(3)21(28)26(12-5-2)19(17)27/h5,8-11H,2,4,6-7,12-14H2,1,3H3