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

Systemtic Name: 5-cyclopentyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-cyclopentyl-4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 5-cyclopentyl-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 5-cyclopentyl-4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 5-cyclopentyl-4-hydroxy-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-6-one Formula: C17H19N3O4S MolecularWeight: 361.41546

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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)C3CCCC3)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=C(C(=O)N2)C3CCCC3)O

InChI

InChI=1S/C17H19N3O4S/c1-10-6-7-13(20(23)24)8-12(10)9-25-17-18-15(21)14(16(22)19-17)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,18,19,21,22)