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

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-5-prop-2-enyl-1H-pyrimidin-6-one Openeye Name: 5-allyl-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-5-prop-2-enyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-5-prop-2-enyl-1H-pyrimidin-6-one Traditional Name: 5-allyl-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c1-3-4-12-13(19)16-15(17-14(12)20)23-8-10-7-11(18(21)22)6-5-9(10)2/h3,5-7H,1,4,8H2,2H3,(H2,16,17,19,20)