4-azanyl-2-phenacylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-phenacylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-phenacylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(phenacylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-phenacylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(phenacylthio)pyrimidine-5-carbonitrile Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4OS/c14-6-10-7-16-13(17-12(10)15)19-8-11(18)9-4-2-1-3-5-9/h1-5,7H,8H2,(H2,15,16,17)