4-azanyl-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]pyrimidine-5-carbonitrile Formula: C15H10ClN5OS MolecularWeight: 343.7908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)CSC3=NC=C(C(=N3)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)CSC3=NC=C(C(=N3)N)C#N)Cl

InChI

InChI=1S/C15H10ClN5OS/c16-11-3-1-9(2-4-11)13-5-12(22-21-13)8-23-15-19-7-10(6-17)14(18)20-15/h1-5,7H,8H2,(H2,18,19,20)