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

Systemtic Name: 2-azanyl-4-(4-bromanylfuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-furyl)-6-[2-(2-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-furanyl)-6-[2-(2-pyridinyl)ethylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-(4-bromofuran-2-yl)-6-(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-furyl)-6-[2-(2-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C16H12BrN5OS MolecularWeight: 402.26838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCSC2=NC(=NC(=C2C#N)C3=CC(=CO3)Br)N

Isomeric SMILES

C1=CC=NC(=C1)CCSC2=NC(=NC(=C2C#N)C3=CC(=CO3)Br)N

InChI

InChI=1S/C16H12BrN5OS/c17-10-7-13(23-9-10)14-12(8-18)15(22-16(19)21-14)24-6-4-11-3-1-2-5-20-11/h1-3,5,7,9H,4,6H2,(H2,19,21,22)