2-[3-(3-chloranyl-5-oxidanyl-phenyl)-4-[2-(oxolan-3-ylamino)pyrimidin-4-yl]pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(3-chloranyl-5-oxidanyl-phenyl)-4-[2-(oxolan-3-ylamino)pyrimidin-4-yl]pyrazol-1-yl]ethanenitrile Openeye Name: 2-[3-(3-chloro-5-hydroxy-phenyl)-4-[2-(tetrahydrofuran-3-ylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile CAS Name: 2-[3-(3-chloro-5-hydroxyphenyl)-4-[2-(3-oxolanylamino)-4-pyrimidinyl]-1-pyrazolyl]acetonitrile IUPAC Name: 2-[3-(3-chloro-5-hydroxyphenyl)-4-[2-(oxolan-3-ylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile Traditional Name: 2-[3-(3-chloro-5-hydroxy-phenyl)-4-[2-(tetrahydrofuran-3-ylamino)pyrimidin-4-yl]pyrazol-1-yl]acetonitrile Formula: C19H17ClN6O2 MolecularWeight: 396.83028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1NC2=NC=CC(=N2)C3=CN(N=C3C4=CC(=CC(=C4)Cl)O)CC#N

Isomeric SMILES

C1COCC1NC2=NC=CC(=N2)C3=CN(N=C3C4=CC(=CC(=C4)Cl)O)CC#N

InChI

InChI=1S/C19H17ClN6O2/c20-13-7-12(8-15(27)9-13)18-16(10-26(25-18)5-3-21)17-1-4-22-19(24-17)23-14-2-6-28-11-14/h1,4,7-10,14,27H,2,5-6,11H2,(H,22,23,24)