4-azanyl-2-[(E)-3-chloranylprop-2-enyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(E)-3-chloranylprop-2-enyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(E)-3-chloroallyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(E)-3-chloroprop-2-enyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(E)-3-chloroprop-2-enyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(E)-3-chloroallyl]thio]pyrimidine-5-carbonitrile Formula: C8H7ClN4S MolecularWeight: 226.68598

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)SCC=CCl)N)C#N

Isomeric SMILES

C1=C(C(=NC(=N1)SC/C=C/Cl)N)C#N

InChI

InChI=1S/C8H7ClN4S/c9-2-1-3-14-8-12-5-6(4-10)7(11)13-8/h1-2,5H,3H2,(H2,11,12,13)/b2-1+