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

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C24H25N7O2 MolecularWeight: 443.501

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H25N7O2/c1-28-21-20(22(32)29(2)24(28)33)31(15-18-9-5-8-17-7-3-4-10-19(17)18)23(27-21)26-11-6-13-30-14-12-25-16-30/h3-5,7-10,12,14,16H,6,11,13,15H2,1-2H3,(H,26,27)