3-[[4-(5-methyl-3-propylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(5-methyl-3-propylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(5-methyl-3-propylsulfanyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[5-methyl-3-(propylthio)-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(5-methyl-3-propylsulfanyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[5-methyl-3-(propylthio)isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C18H17N5OS/c1-3-9-25-17-16(12(2)24-23-17)15-7-8-20-18(22-15)21-14-6-4-5-13(10-14)11-19/h4-8,10H,3,9H2,1-2H3,(H,20,21,22)