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

Systemtic Name: 8-ethyl-1,3-dimethyl-7-propyl-purine-2,6-dione; N-propylpropan-1-amine; hydrochloride Openeye Name: 8-ethyl-1,3-dimethyl-7-propyl-purine-2,6-dione; N-propylpropan-1-amine; hydrochloride CAS Name: 8-ethyl-1,3-dimethyl-7-propylpurine-2,6-dione; N-propyl-1-propanamine; hydrochloride IUPAC Name: 8-ethyl-1,3-dimethyl-7-propylpurine-2,6-dione; N-propylpropan-1-amine; hydrochloride Traditional Name: dipropylamine; 8-ethyl-1,3-dimethyl-7-propyl-xanthine; hydrochloride Formula: C18H34ClN5O2 MolecularWeight: 387.94786

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCC.CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC.Cl

Isomeric SMILES

CCCNCCC.CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC.Cl

InChI

InChI=1S/C12H18N4O2.C6H15N.ClH/c1-5-7-16-8(6-2)13-10-9(16)11(17)15(4)12(18)14(10)3;1-3-5-7-6-4-2;/h5-7H2,1-4H3;7H,3-6H2,1-2H3;1H