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

Systemtic Name: 4-azanyl-2-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-hydroxyphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(4-hydroxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-hydroxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-hydroxyphenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC=C(C(=N2)N)C#N)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC=C(C(=N2)N)C#N)O

InChI

InChI=1S/C13H10N4O2S/c14-5-9-6-16-13(17-12(9)15)20-7-11(19)8-1-3-10(18)4-2-8/h1-4,6,18H,7H2,(H2,15,16,17)