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

Systemtic Name: 6-(2-ethylphenyl)-4-methyl-2-nonyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-ethylphenyl)-4-methyl-2-nonyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-ethylphenyl)-4-methyl-2-nonyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-ethylphenyl)-4-methyl-2-nonyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-ethylphenyl)-4-methyl-2-nonyl-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

InChI

InChI=1S/C25H37N5O2/c1-4-6-7-8-9-10-13-16-30-23(31)21-22(27(3)25(30)32)26-24-28(17-18-29(21)24)20-15-12-11-14-19(20)5-2/h11-12,14-15,21-22H,4-10,13,16-18H2,1-3H3