7-[2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione

Systemtic Name: 7-[2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethyl]-1,3-dimethyl-8-morpholin-4-yl-purine-2,6-dione Openeye Name: 7-[2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethyl]-1,3-dimethyl-8-morpholino-purine-2,6-dione CAS Name: 7-[2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethyl]-1,3-dimethyl-8-(4-morpholinyl)purine-2,6-dione IUPAC Name: 7-[2-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)ethyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-[2-(1-pyrrolin-1-ium-2-ylamino)ethyl]xanthine Formula: C17H26N7O3+ MolecularWeight: 376.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCNC4=[NH+]CCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCNC4=[NH+]CCC4

InChI

InChI=1S/C17H25N7O3/c1-21-14-13(15(25)22(2)17(21)26)24(7-6-19-12-4-3-5-18-12)16(20-14)23-8-10-27-11-9-23/h3-11H2,1-2H3,(H,18,19)/p+1