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

Systemtic Name: oxolan-3-ylmethyl N-[3-[[4-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophen-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate Openeye Name: tetrahydrofuran-3-ylmethyl 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 3-oxolanylmethyl ester IUPAC Name: oxolan-3-ylmethyl 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 tetrahydrofuran-3-ylmethyl 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)OCC4CCOC4)C5=CN=CC=C5)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)OCC4CCOC4)C5=CN=CC=C5)C#N

InChI

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