1,3-dimethyl-7-[2-(propylamino)ethyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-(propylamino)ethyl]purine-2,6-dione hydrochloride Openeye Name: 1,3-dimethyl-7-[2-(propylamino)ethyl]purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-7-[2-(propylamino)ethyl]purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-7-[2-(propylamino)ethyl]purine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-7-[2-(propylamino)ethyl]xanthine hydrochloride Formula: C12H20ClN5O2 MolecularWeight: 301.7725

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

Isomeric SMILES

CCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

InChI

InChI=1S/C12H19N5O2.ClH/c1-4-5-13-6-7-17-8-14-10-9(17)11(18)16(3)12(19)15(10)2;/h8,13H,4-7H2,1-3H3;1H