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

Systemtic Name: 2-butylsulfanyl-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-5-(2-methoxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21N3O4S/c1-4-5-8-25-17-18-11(2)14(16(21)19-17)10-12-9-13(20(22)23)6-7-15(12)24-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19,21)