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

Systemtic Name: 3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-8-[2-(4-morpholin-4-iumyl)ethylthio]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C15H22N5O3S+ MolecularWeight: 352.43188

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC[NH+]3CCOCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC[NH+]3CCOCC3)CC=C

InChI

InChI=1S/C15H21N5O3S/c1-3-4-20-11-12(18(2)14(22)17-13(11)21)16-15(20)24-10-7-19-5-8-23-9-6-19/h3H,1,4-10H2,2H3,(H,17,21,22)/p+1