8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-quinone Formula: C12H15N7O2 MolecularWeight: 289.2932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)NCCCN3C=CN=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)NCCCN3C=CN=C3

InChI

InChI=1S/C12H15N7O2/c1-18-9-8(10(20)17-12(18)21)15-11(16-9)14-3-2-5-19-6-4-13-7-19/h4,6-7H,2-3,5H2,1H3,(H2,14,15,16)(H,17,20,21)