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

Systemtic Name: 2-dodecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-dodecyl-4-methyl-6-(o-tolyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-dodecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-dodecyl-4-methyl-6-(2-methylphenyl)-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-lauryl-4-methyl-6-(o-tolyl)-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C27H41N5O2 MolecularWeight: 467.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4C)N(C1=O)C

InChI

InChI=1S/C27H41N5O2/c1-4-5-6-7-8-9-10-11-12-15-18-32-25(33)23-24(29(3)27(32)34)28-26-30(19-20-31(23)26)22-17-14-13-16-21(22)2/h13-14,16-17,23-24H,4-12,15,18-20H2,1-3H3