1-(2-azanylpropyl)-3-methyl-7H-purine-2,6-dione; 1-chloranylpropane; hydrochloride

Systemtic Name: 1-(2-azanylpropyl)-3-methyl-7H-purine-2,6-dione; 1-chloranylpropane; hydrochloride Openeye Name: 1-(2-aminopropyl)-3-methyl-7H-purine-2,6-dione; 1-chloropropane; hydrochloride CAS Name: 1-(2-aminopropyl)-3-methyl-7H-purine-2,6-dione; 1-chloropropane; hydrochloride IUPAC Name: 1-(2-aminopropyl)-3-methyl-7H-purine-2,6-dione; 1-chloropropane; hydrochloride Traditional Name: 1-(2-aminopropyl)-3-methyl-7H-purine-2,6-quinone; 1-chloropropane; hydrochloride Formula: C12H21Cl2N5O2 MolecularWeight: 338.23344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCl.CC(CN1C(=O)C2=C(N=CN2)N(C1=O)C)N.Cl

Isomeric SMILES

CCCCl.CC(CN1C(=O)C2=C(N=CN2)N(C1=O)C)N.Cl

InChI

InChI=1S/C9H13N5O2.C3H7Cl.ClH/c1-5(10)3-14-8(15)6-7(12-4-11-6)13(2)9(14)16;1-2-3-4;/h4-5H,3,10H2,1-2H3,(H,11,12);2-3H2,1H3;1H