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

Systemtic Name: 2-cyclopentylsulfanyl-5-[(2-methyl-5-nitro-phenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-cyclopentylsulfanyl-4-hydroxy-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-(cyclopentylthio)-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-cyclopentylsulfanyl-4-hydroxy-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-(cyclopentylthio)-4-hydroxy-5-(2-methyl-5-nitro-benzyl)-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-])CC2=C(N=C(NC2=O)SC3CCCC3)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(N=C(NC2=O)SC3CCCC3)O

InChI

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