1,3-dimethyl-8-morpholin-4-yl-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione hydrochloride Openeye Name: 1,3-dimethyl-8-morpholino-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione hydrochloride CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione hydrochloride IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]purine-2,6-dione hydrochloride Traditional Name: 1,3-dimethyl-8-morpholino-7-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propyl]xanthine hydrochloride Formula: C20H32ClN7O3 MolecularWeight: 453.96618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNC4=NCCCCC4.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNC4=NCCCCC4.Cl

InChI

InChI=1S/C20H31N7O3.ClH/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-11-13-30-14-12-26)10-6-9-22-15-7-4-3-5-8-21-15;/h3-14H2,1-2H3,(H,21,22);1H