5-methyl-1-(4-oxidanylbutyl)-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 5-methyl-1-(4-oxidanylbutyl)-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 1-(4-hydroxybutyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 1-(4-hydroxybutyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 1-(4-hydroxybutyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 1-(4-hydroxybutyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)CCCCO)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)CCCCO)SC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O3S/c1-11-13(19)16-15(20)17(9-5-6-10-18)14(11)21-12-7-3-2-4-8-12/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,16,19,20)