2-azanyl-4-(1-benzofuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-(1-benzofuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(benzofuran-2-yl)-6-[2-(2-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(2-benzofuranyl)-6-[2-(2-pyridinyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(1-benzofuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(benzofuran-2-yl)-6-[2-(2-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=C(C(=NC(=N3)N)SCCC4=CC=CC=N4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=C(C(=NC(=N3)N)SCCC4=CC=CC=N4)C#N

InChI

InChI=1S/C20H15N5OS/c21-12-15-18(17-11-13-5-1-2-7-16(13)26-17)24-20(22)25-19(15)27-10-8-14-6-3-4-9-23-14/h1-7,9,11H,8,10H2,(H2,22,24,25)