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

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[2-(4-morpholin-4-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H23N5O3S/c1-11(2)10-21-12-13(19(3)15(23)18-14(12)22)17-16(21)25-9-6-20-4-7-24-8-5-20/h1,4-10H2,2-3H3,(H,18,22,23)/p+1