2-azanyl-4-(5-chloranylfuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(5-chloranylfuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(5-chloro-2-furyl)-6-[2-(2-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(5-chloro-2-furanyl)-6-[2-(2-pyridinyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(5-chlorofuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(5-chloro-2-furyl)-6-[2-(2-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C16H12ClN5OS MolecularWeight: 357.81738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=NC(=NC(=C2C#N)C3=CC=C(O3)Cl)N

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=NC(=NC(=C2C#N)C3=CC=C(O3)Cl)N

InChI

InChI=1S/C16H12ClN5OS/c17-13-5-4-12(23-13)14-11(9-18)15(22-16(19)21-14)24-8-6-10-3-1-2-7-20-10/h1-5,7H,6,8H2,(H2,19,21,22)