3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-4,5-dihydropurine-2,6-dione; 2-methylsulfanylpropane

Systemtic Name: 3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-4,5-dihydropurine-2,6-dione; 2-methylsulfanylpropane Openeye Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-4,5-dihydropurine-2,6-dione; 2-methylsulfanylpropane CAS Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-4,5-dihydropurine-2,6-dione; 2-(methylthio)propane IUPAC Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-4,5-dihydropurine-2,6-dione; 2-methylsulfanylpropane Traditional Name: 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-4,5-dihydropurine-2,6-quinone; 2-(methylthio)propane Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C=NC3C2C(=O)NC(=O)N3C)O.CC(C)SC

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C=NC3C2C(=O)NC(=O)N3C)O.CC(C)SC

InChI

InChI=1S/C16H20N4O4.C4H10S/c1-10-5-3-4-6-12(10)24-8-11(21)7-20-9-17-14-13(20)15(22)18-16(23)19(14)2;1-4(2)5-3/h3-6,9,11,13-14,21H,7-8H2,1-2H3,(H,18,22,23);4H,1-3H3