6-(2-ethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-ethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-2-hexyl-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

InChI

InChI=1S/C22H29N5O2/c1-4-6-7-10-13-27-20(28)18-19(24(3)22(27)29)23-21-25(14-15-26(18)21)17-12-9-8-11-16(17)5-2/h8-9,11-12H,4-7,10,13-15H2,1-3H3