7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride

Systemtic Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[3-(3,4-dihydro-2H-pyrrol-5-ylamino)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-7-[3-(1-pyrrolin-2-ylamino)propyl]xanthine hydrochloride Formula: C14H21ClN6O2 MolecularWeight: 340.80854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC3=NCCC3.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC3=NCCC3.Cl

InChI

InChI=1S/C14H20N6O2.ClH/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-4-7-16-10-5-3-6-15-10;/h9H,3-8H2,1-2H3,(H,15,16);1H