oxan-4-yl N-[3-[[4-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophen-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate

Systemtic Name: oxan-4-yl N-[3-[[4-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophen-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate Openeye Name: tetrahydropyran-4-yl N-[3-[[4-[4-cyano-5-methylsulfanyl-3-(3-pyridyl)-2-thienyl]pyrimidin-2-yl]amino]phenyl]carbamate CAS Name: N-[3-[[4-[4-cyano-5-(methylthio)-3-(3-pyridinyl)-2-thiophenyl]-2-pyrimidinyl]amino]phenyl]carbamic acid 4-oxanyl ester IUPAC Name: oxan-4-yl N-[3-[[4-(4-cyano-5-methylsulfanyl-3-pyridin-3-ylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate Traditional Name: N-[3-[[4-[4-cyano-5-(methylthio)-3-(3-pyridyl)-2-thienyl]pyrimidin-2-yl]amino]phenyl]carbamic acid tetrahydropyran-4-yl ester Formula: C27H24N6O3S2 MolecularWeight: 544.64786

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)OC4CCOCC4)C5=CN=CC=C5)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)OC4CCOCC4)C5=CN=CC=C5)C#N

InChI

InChI=1S/C27H24N6O3S2/c1-37-25-21(15-28)23(17-4-3-10-29-16-17)24(38-25)22-7-11-30-26(33-22)31-18-5-2-6-19(14-18)32-27(34)36-20-8-12-35-13-9-20/h2-7,10-11,14,16,20H,8-9,12-13H2,1H3,(H,32,34)(H,30,31,33)