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

Systemtic Name: 2-decyl-6-(2-ethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-decyl-6-(2-ethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-decyl-6-(2-ethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-decyl-6-(2-ethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-decyl-6-(2-ethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurin[7,8-a]imidazole-1,3-quinone Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2C(N=C3N2CCN3C4=CC=CC=C4CC)N(C1=O)C

InChI

InChI=1S/C26H39N5O2/c1-4-6-7-8-9-10-11-14-17-31-24(32)22-23(28(3)26(31)33)27-25-29(18-19-30(22)25)21-16-13-12-15-20(21)5-2/h12-13,15-16,22-23H,4-11,14,17-19H2,1-3H3