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

Systemtic Name: 6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-5-(2-prop-2-enylsulfanylethyl)-1H-pyrimidin-4-one Openeye Name: 5-(2-allylsulfanylethyl)-6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-5-[2-(prop-2-enylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-(2-prop-2-enylsulfanylethyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(allylthio)ethyl]-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-4-one Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CCSCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CCSCC=C

InChI

InChI=1S/C18H21N3O3S2/c1-4-8-25-9-7-16-13(3)19-18(20-17(16)22)26-11-14-10-15(21(23)24)6-5-12(14)2/h4-6,10H,1,7-9,11H2,2-3H3,(H,19,20,22)