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

Systemtic Name: oxolan-3-yl N-[3-[[4-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophen-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate Openeye Name: tetrahydrofuran-3-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 3-oxolanyl ester IUPAC Name: oxolan-3-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 tetrahydrofuran-3-yl ester Formula: C26H22N6O3S2 MolecularWeight: 530.62128

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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)OC4CCOC4)C5=CN=CC=C5)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NC(=O)OC4CCOC4)C5=CN=CC=C5)C#N

InChI

InChI=1S/C26H22N6O3S2/c1-36-24-20(13-27)22(16-4-3-9-28-14-16)23(37-24)21-7-10-29-25(32-21)30-17-5-2-6-18(12-17)31-26(33)35-19-8-11-34-15-19/h2-7,9-10,12,14,19H,8,11,15H2,1H3,(H,31,33)(H,29,30,32)