1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)-7H-purine-2,6-dione; ethanoic acid

Systemtic Name: 1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)-7H-purine-2,6-dione; ethanoic acid Openeye Name: acetic acid; 1,3-dimethyl-8-(3-morpholinopropylamino)-7H-purine-2,6-dione CAS Name: acetic acid; 1,3-dimethyl-8-[3-(4-morpholinyl)propylamino]-7H-purine-2,6-dione IUPAC Name: acetic acid; 1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)-7H-purine-2,6-dione Traditional Name: acetic acid; 1,3-dimethyl-8-(3-morpholinopropylamino)-7H-purine-2,6-quinone Formula: C16H26N6O5 MolecularWeight: 382.41484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCCN3CCOCC3

Isomeric SMILES

CC(=O)O.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCCN3CCOCC3

InChI

InChI=1S/C14H22N6O3.C2H4O2/c1-18-11-10(12(21)19(2)14(18)22)16-13(17-11)15-4-3-5-20-6-8-23-9-7-20;1-2(3)4/h3-9H2,1-2H3,(H2,15,16,17);1H3,(H,3,4)