5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-(pentylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-4-5-6-9-26-18-19-12(2)14(17(22)20-18)10-13-7-8-16(25-3)15(11-13)21(23)24/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,20,22)