4-azanyl-2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2-methoxyphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2-methoxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(2-methoxyphenyl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H12N4O2S/c1-20-12-5-3-2-4-10(12)11(19)8-21-14-17-7-9(6-15)13(16)18-14/h2-5,7H,8H2,1H3,(H2,16,17,18)