8-(3-imidazol-1-ylpropylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3-imidazol-1-ylpropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3-imidazol-1-ylpropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3-imidazol-1-ylpropylamino)-3,7-dimethyl-xanthine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H23N7O2/c1-24-16-17(23-19(24)22-9-6-11-26-12-10-21-14-26)25(2)20(29)27(18(16)28)13-15-7-4-3-5-8-15/h3-5,7-8,10,12,14H,6,9,11,13H2,1-2H3,(H,22,23)