4-azanyl-1-[1-(2-methylpropylsulfanyl)-2,3,4,5-tetrakis(oxidanyl)pentyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[1-(2-methylpropylsulfanyl)-2,3,4,5-tetrakis(oxidanyl)pentyl]pyrimidin-2-one Openeye Name: 4-amino-1-(2,3,4,5-tetrahydroxy-1-isobutylsulfanyl-pentyl)pyrimidin-2-one CAS Name: 4-amino-1-[2,3,4,5-tetrahydroxy-1-(2-methylpropylthio)pentyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[2,3,4,5-tetrahydroxy-1-(2-methylpropylsulfanyl)pentyl]pyrimidin-2-one Traditional Name: 4-amino-1-[2,3,4,5-tetrahydroxy-1-(isobutylthio)pentyl]pyrimidin-2-one Formula: C13H23N3O5S MolecularWeight: 333.40382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC(C(C(C(CO)O)O)O)N1C=CC(=NC1=O)N

Isomeric SMILES

CC(C)CSC(C(C(C(CO)O)O)O)N1C=CC(=NC1=O)N

InChI

InChI=1S/C13H23N3O5S/c1-7(2)6-22-12(11(20)10(19)8(18)5-17)16-4-3-9(14)15-13(16)21/h3-4,7-8,10-12,17-20H,5-6H2,1-2H3,(H2,14,15,21)