8-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[2-(2-imidazolin-2-ylamino)ethyl]-1,3-dimethyl-xanthine Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCNC3=NCCN3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CCNC3=NCCN3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N7O2/c1-24-16-15(17(27)25(2)19(24)28)26(12-13-6-4-3-5-7-13)14(23-16)8-9-20-18-21-10-11-22-18/h3-7H,8-12H2,1-2H3,(H2,20,21,22)