3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)-7H-purine-2,6-dione Openeye Name: 3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)-7H-purine-2,6-dione CAS Name: 3-methyl-8-[3-(4-morpholin-4-iumyl)propylamino]-7H-purine-2,6-dione IUPAC Name: 3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)-7H-purine-2,6-dione Traditional Name: 3-methyl-8-(3-morpholin-4-ium-4-ylpropylamino)-7H-purine-2,6-quinone Formula: C13H21N6O3+ MolecularWeight: 309.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)NCCC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C13H20N6O3/c1-18-10-9(11(20)17-13(18)21)15-12(16-10)14-3-2-4-19-5-7-22-8-6-19/h2-8H2,1H3,(H2,14,15,16)(H,17,20,21)/p+1