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

Systemtic Name: 2-butylsulfanyl-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C17H21N3O3S MolecularWeight: 347.43194

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-4-5-8-24-17-18-12(3)15(16(21)19-17)10-13-9-14(20(22)23)7-6-11(13)2/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19,21)