3,7-dimethyl-1-[3-(2-pentylbenzimidazol-1-yl)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(2-pentylbenzimidazol-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(2-pentylbenzimidazol-1-yl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(2-pentyl-1-benzimidazolyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(2-pentylbenzimidazol-1-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(2-amylbenzimidazol-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=CC=CC=C2N1CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCCCCC1=NC2=CC=CC=C2N1CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C22H28N6O2/c1-4-5-6-12-18-24-16-10-7-8-11-17(16)27(18)13-9-14-28-21(29)19-20(23-15-25(19)2)26(3)22(28)30/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3