6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC=C)C

InChI

InChI=1S/C16H17N3O3S/c1-4-7-23-16-17-11(3)14(15(20)18-16)9-12-8-13(19(21)22)6-5-10(12)2/h4-6,8H,1,7,9H2,2-3H3,(H,17,18,20)