2-hexadecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-hexadecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-hexadecyl-4-methyl-6-(o-tolyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-hexadecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-hexadecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-cetyl-4-methyl-6-(o-tolyl)-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C31H49N5O2 MolecularWeight: 523.75306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

InChI

InChI=1S/C31H49N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-36-29(37)27-28(33(3)31(36)38)32-30-34(23-24-35(27)30)26-21-18-17-20-25(26)2/h17-18,20-21,27-28H,4-16,19,22-24H2,1-3H3