8-(aminomethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-(aminomethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-(aminomethyl)-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-(aminomethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-(aminomethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(aminomethyl)-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C11H17N5O2 MolecularWeight: 251.28498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CN

InChI

InChI=1S/C11H17N5O2/c1-6(2)5-16-9-8(13-7(4-12)14-9)10(17)15(3)11(16)18/h6H,4-5,12H2,1-3H3,(H,13,14)