3-methyl-7-(2-methylprop-2-enyl)-8-(2-oxidanylpropylsulfanyl)-9H-purin-7-ium-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-oxidanylpropylsulfanyl)-9H-purin-7-ium-2,6-dione Openeye Name: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(2-methylallyl)-9H-purin-7-ium-2,6-dione CAS Name: 8-(2-hydroxypropylthio)-3-methyl-7-(2-methylprop-2-enyl)-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(2-hydroxypropylsulfanyl)-3-methyl-7-(2-methylprop-2-enyl)-9H-purin-7-ium-2,6-dione Traditional Name: 8-(2-hydroxypropylthio)-3-methyl-7-(2-methylallyl)-9H-purin-7-ium-2,6-quinone Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC(=C)C)O

Isomeric SMILES

CC(CSC1=[N+](C2=C(N1)N(C(=O)NC2=O)C)CC(=C)C)O

InChI

InChI=1S/C13H18N4O3S/c1-7(2)5-17-9-10(14-13(17)21-6-8(3)18)16(4)12(20)15-11(9)19/h8,18H,1,5-6H2,2-4H3,(H,15,19,20)/p+1