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

Systemtic Name: 6-(2-ethylphenyl)-4-methyl-2-octyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-4-methyl-2-octyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4-methyl-2-octyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4-methyl-2-octyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-4-methyl-2-octyl-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C24H35N5O2 MolecularWeight: 425.567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

InChI

InChI=1S/C24H35N5O2/c1-4-6-7-8-9-12-15-29-22(30)20-21(26(3)24(29)31)25-23-27(16-17-28(20)23)19-14-11-10-13-18(19)5-2/h10-11,13-14,20-21H,4-9,12,15-17H2,1-3H3