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

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-7-isobutyl-3-methyl-xanthine Formula: C16H23N7O2 MolecularWeight: 345.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H23N7O2/c1-11(2)9-23-12-13(21(3)16(25)20-14(12)24)19-15(23)18-5-4-7-22-8-6-17-10-22/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,18,19)(H,20,24,25)