7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione; N-propylpropan-1-amine

Systemtic Name: 7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione; N-propylpropan-1-amine Openeye Name: 7-butyl-8-ethyl-1,3-dimethyl-purine-2,6-dione; N-propylpropan-1-amine CAS Name: 7-butyl-8-ethyl-1,3-dimethylpurine-2,6-dione; N-propyl-1-propanamine IUPAC Name: 7-butyl-8-ethyl-1,3-dimethylpurine-2,6-dione; N-propylpropan-1-amine Traditional Name: 7-butyl-8-ethyl-1,3-dimethyl-xanthine; dipropylamine Formula: C19H35N5O2 MolecularWeight: 365.5135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC.CCCNCCC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC.CCCNCCC

InChI

InChI=1S/C13H20N4O2.C6H15N/c1-5-7-8-17-9(6-2)14-11-10(17)12(18)16(4)13(19)15(11)3;1-3-5-7-6-4-2/h5-8H2,1-4H3;7H,3-6H2,1-2H3