5-(2-methylpropyl)-4-oxidanyl-2-phenacylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-(2-methylpropyl)-4-oxidanyl-2-phenacylsulfanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-isobutyl-2-phenacylsulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(2-methylpropyl)-2-(phenacylthio)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-(2-methylpropyl)-2-phenacylsulfanyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-isobutyl-2-(phenacylthio)-1H-pyrimidin-6-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C16H18N2O3S/c1-10(2)8-12-14(20)17-16(18-15(12)21)22-9-13(19)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,17,18,20,21)