6-methyl-2-[3-(4-nitrophenoxy)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-(4-nitrophenoxy)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[3-(4-nitrophenoxy)propylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-(4-nitrophenoxy)propylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-(4-nitrophenoxy)propylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[3-(4-nitrophenoxy)propylthio]-1H-pyrimidin-4-one Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCOC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-10-9-13(18)16-14(15-10)22-8-2-7-21-12-5-3-11(4-6-12)17(19)20/h3-6,9H,2,7-8H2,1H3,(H,15,16,18)