[4-azanyl-5-cyano-6-(methoxymethylsulfanyl)pyrimidin-2-yl] benzoate

Systemtic Name: [4-azanyl-5-cyano-6-(methoxymethylsulfanyl)pyrimidin-2-yl] benzoate Openeye Name: [4-amino-5-cyano-6-(methoxymethylsulfanyl)pyrimidin-2-yl] benzoate CAS Name: benzoic acid [4-amino-5-cyano-6-(methoxymethylthio)-2-pyrimidinyl] ester IUPAC Name: [4-amino-5-cyano-6-(methoxymethylsulfanyl)pyrimidin-2-yl] benzoate Traditional Name: benzoic acid [4-amino-5-cyano-6-(methoxymethylthio)pyrimidin-2-yl] ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

COCSC1=NC(=NC(=C1C#N)N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COCSC1=NC(=NC(=C1C#N)N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12N4O3S/c1-20-8-22-12-10(7-15)11(16)17-14(18-12)21-13(19)9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H2,16,17,18)