5-ethanoyl-6-methyl-4-(3-phenoxypropylsulfanyl)-1H-pyrimidin-2-one

Systemtic Name: 5-ethanoyl-6-methyl-4-(3-phenoxypropylsulfanyl)-1H-pyrimidin-2-one Openeye Name: 5-acetyl-6-methyl-4-(3-phenoxypropylsulfanyl)-1H-pyrimidin-2-one CAS Name: 5-acetyl-6-methyl-4-(3-phenoxypropylthio)-1H-pyrimidin-2-one IUPAC Name: 5-acetyl-6-methyl-4-(3-phenoxypropylsulfanyl)-1H-pyrimidin-2-one Traditional Name: 5-acetyl-6-methyl-4-(3-phenoxypropylthio)-1H-pyrimidin-2-one Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCCOC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCCOC2=CC=CC=C2)C(=O)C

InChI

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