5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-(propylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-2-propylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-nitro-benzyl)-6-methyl-2-(propylthio)-1H-pyrimidin-4-one Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H19N3O4S/c1-4-7-24-16-17-10(2)13(15(20)18-16)9-11-8-12(19(21)22)5-6-14(11)23-3/h5-6,8H,4,7,9H2,1-3H3,(H,17,18,20)