4-azanyl-2-[2-(4-chloranylphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(4-chloranylphenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-chlorophenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[2-(4-chlorophenoxy)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-chlorophenoxy)ethylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-(4-chlorophenoxy)ethylthio]pyrimidine-5-carbonitrile Formula: C13H11ClN4OS MolecularWeight: 306.77064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCSC2=NC=C(C(=N2)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCSC2=NC=C(C(=N2)N)C#N)Cl

InChI

InChI=1S/C13H11ClN4OS/c14-10-1-3-11(4-2-10)19-5-6-20-13-17-8-9(7-15)12(16)18-13/h1-4,8H,5-6H2,(H2,16,17,18)