4-azanyl-2-phenethylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-phenethylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-phenethylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(phenethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-phenethylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-(phenethylthio)pyrimidine-5-carbonitrile Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H12N4S/c14-8-11-9-16-13(17-12(11)15)18-7-6-10-4-2-1-3-5-10/h1-5,9H,6-7H2,(H2,15,16,17)