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6-azanyl-5-(2-nitrocyclohexyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

6-azanyl-5-(2-nitrocyclohexyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name:6-azanyl-5-(2-nitrocyclohexyl)-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one
Openeye Name:6-amino-2-benzylsulfanyl-5-(2-nitrocyclohexyl)-1H-pyrimidin-4-one
CAS Name:6-amino-5-(2-nitrocyclohexyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one
IUPAC Name:6-amino-2-benzylsulfanyl-5-(2-nitrocyclohexyl)-1H-pyrimidin-4-one
Traditional Name:6-amino-2-(benzylthio)-5-(2-nitrocyclohexyl)-1H-pyrimidin-4-one
Formula: C17H20N4O3S
MolecularWeight: 360.4307
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=C(NC(=NC2=O)SCC3=CC=CC=C3)N)[N+](=O)[O-]


Isomeric SMILES

C1CCC(C(C1)C2=C(NC(=NC2=O)SCC3=CC=CC=C3)N)[N+](=O)[O-]


InChI

InChI=1S/C17H20N4O3S/c18-15-14(12-8-4-5-9-13(12)21(23)24)16(22)20-17(19-15)25-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H3,18,19,20,22)


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