1-cyclopentyl-2-[(3-nitrophenyl)methylsulfanyl]-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 1-cyclopentyl-2-[(3-nitrophenyl)methylsulfanyl]-6-oxidanyl-pyrimidin-4-one Openeye Name: 1-cyclopentyl-6-hydroxy-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-one CAS Name: 1-cyclopentyl-6-hydroxy-2-[(3-nitrophenyl)methylthio]-4-pyrimidinone IUPAC Name: 1-cyclopentyl-6-hydroxy-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-one Traditional Name: 1-cyclopentyl-6-hydroxy-2-[(3-nitrobenzyl)thio]pyrimidin-4-one Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O4S/c20-14-9-15(21)18(12-5-1-2-6-12)16(17-14)24-10-11-4-3-7-13(8-11)19(22)23/h3-4,7-9,12,21H,1-2,5-6,10H2