2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(4-methoxycarbonylphenyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(4-carbomethoxybenzyl)thio]-6-propyl-pyrimidin-4-olate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)OC)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-3-4-13-9-14(19)18-16(17-13)22-10-11-5-7-12(8-6-11)15(20)21-2/h5-9H,3-4,10H2,1-2H3,(H,17,18,19)/p-1