1,3,7-trimethyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[3-(4-morpholin-4-iumyl)propylamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(3-morpholin-4-ium-4-ylpropylamino)xanthine Formula: C15H25N6O3+ MolecularWeight: 337.3974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCC[NH+]3CCOCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H24N6O3/c1-18-11-12(19(2)15(23)20(3)13(11)22)17-14(18)16-5-4-6-21-7-9-24-10-8-21/h4-10H2,1-3H3,(H,16,17)/p+1