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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[3-(4-morpholin-4-iumyl)propylamino]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(3-morpholin-4-ium-4-ylpropylamino)xanthine Formula: C17H27N6O3+ MolecularWeight: 363.43468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1NCCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1NCCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N6O3/c1-12(2)11-23-13-14(21(3)17(25)20-15(13)24)19-16(23)18-5-4-6-22-7-9-26-10-8-22/h1,4-11H2,2-3H3,(H,18,19)(H,20,24,25)/p+1