5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC=C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC=C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-4-7-24-16-17-10(2)12(15(20)18-16)8-11-5-6-14(23-3)13(9-11)19(21)22/h4-6,9H,1,7-8H2,2-3H3,(H,17,18,20)