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

Systemtic Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-propylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-propylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-(propylthio)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-propylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methyl-5-nitro-benzyl)-2-(propylthio)-1H-pyrimidin-4-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-4-7-23-16-17-11(3)14(15(20)18-16)9-12-8-13(19(21)22)6-5-10(12)2/h5-6,8H,4,7,9H2,1-3H3,(H,17,18,20)