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

Systemtic Name: 6-methyl-2-[4-(2-nitrophenoxy)butylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[4-(2-nitrophenoxy)butylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-(2-nitrophenoxy)butylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[4-(2-nitrophenoxy)butylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[4-(2-nitrophenoxy)butylthio]-1H-pyrimidin-4-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCCCOC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCCCOC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-11-10-14(19)17-15(16-11)23-9-5-4-8-22-13-7-3-2-6-12(13)18(20)21/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,16,17,19)