2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3S/c1-2-3-11-8-13(18)16-14(15-11)21-9-10-4-6-12(7-5-10)17(19)20/h4-8H,2-3,9H2,1H3,(H,15,16,18)