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

Systemtic Name: 6-(2-ethylphenyl)-2-hexadecyl-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-2-hexadecyl-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-2-hexadecyl-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-2-hexadecyl-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-cetyl-6-(2-ethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C32H51N5O2 MolecularWeight: 537.77964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

InChI

InChI=1S/C32H51N5O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-37-30(38)28-29(34(3)32(37)39)33-31-35(24-25-36(28)31)27-22-19-18-21-26(27)5-2/h18-19,21-22,28-29H,4-17,20,23-25H2,1-3H3