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

Systemtic Name: 3-[[4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(3-butylsulfanyl-5-methyl-isoxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[3-(butylthio)-5-methyl-4-isoxazolyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(3-butylsulfanyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[3-(butylthio)-5-methyl-isoxazol-4-yl]pyrimidin-2-yl]amino]benzonitrile Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCCCSC1=NOC(=C1C2=NC(=NC=C2)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C19H19N5OS/c1-3-4-10-26-18-17(13(2)25-24-18)16-8-9-21-19(23-16)22-15-7-5-6-14(11-15)12-20/h5-9,11H,3-4,10H2,1-2H3,(H,21,22,23)