7-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(aminomethyl)pentan-3-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[1-(aminomethyl)-1-ethyl-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[1-(aminomethyl)-1-ethyl-propyl]-1,3-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CN)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(CC)(CN)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O2/c1-5-13(6-2,7-14)18-8-15-10-9(18)11(19)17(4)12(20)16(10)3/h8H,5-7,14H2,1-4H3