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

Systemtic Name: 6-(4-butylphenyl)-4,7,8-trimethyl-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-6-(4-butylphenyl)-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-4,7,8-trimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-6-(4-butylphenyl)-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC=C)C)C

InChI

InChI=1S/C23H27N5O2/c1-6-8-9-17-10-12-18(13-11-17)27-15(3)16(4)28-19-20(24-22(27)28)25(5)23(30)26(14-7-2)21(19)29/h7,10-13H,2,6,8-9,14H2,1,3-5H3