1-(1-azanylpropan-2-yl)-3,7-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 1-(1-azanylpropan-2-yl)-3,7-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 1-(2-amino-1-methyl-ethyl)-3,7-dimethyl-purine-2,6-dione hydrochloride CAS Name: 1-(1-aminopropan-2-yl)-3,7-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 1-(1-aminopropan-2-yl)-3,7-dimethylpurine-2,6-dione hydrochloride Traditional Name: 1-(2-amino-1-methyl-ethyl)-3,7-dimethyl-xanthine hydrochloride Formula: C10H16ClN5O2 MolecularWeight: 273.71934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)N1C(=O)C2=C(N=CN2C)N(C1=O)C.Cl

Isomeric SMILES

CC(CN)N1C(=O)C2=C(N=CN2C)N(C1=O)C.Cl

InChI

InChI=1S/C10H15N5O2.ClH/c1-6(4-11)15-9(16)7-8(12-5-13(7)2)14(3)10(15)17;/h5-6H,4,11H2,1-3H3;1H