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

Systemtic Name: 4-methyl-6-(2-methylphenyl)-2-octadecyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-octadecyl-6-(o-tolyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-6-(2-methylphenyl)-2-octadecyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-6-(2-methylphenyl)-2-octadecyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-6-(o-tolyl)-2-stearyl-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C33H53N5O2 MolecularWeight: 551.80622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

InChI

InChI=1S/C33H53N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-38-31(39)29-30(35(3)33(38)40)34-32-36(25-26-37(29)32)28-23-20-19-22-27(28)2/h19-20,22-23,29-30H,4-18,21,24-26H2,1-3H3