N-(2-cyanoethyl)-N-ethyl-5-[2-[[3-(1-hydroxyethyl)phenyl]amino]pyrimidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-ethyl-5-[2-[[3-(1-hydroxyethyl)phenyl]amino]pyrimidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-(2-cyanoethyl)-N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-sulfonamide CAS Name: N-(2-cyanoethyl)-N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]-4-pyrimidinyl]-2-thiophenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-(2-cyanoethyl)-N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-sulfonamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)S(=O)(=O)C1=CC=C(S1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(C)O

Isomeric SMILES

CCN(CCC#N)S(=O)(=O)C1=CC=C(S1)C2=NC(=NC=C2)NC3=CC=CC(=C3)C(C)O

InChI

InChI=1S/C21H23N5O3S2/c1-3-26(13-5-11-22)31(28,29)20-9-8-19(30-20)18-10-12-23-21(25-18)24-17-7-4-6-16(14-17)15(2)27/h4,6-10,12,14-15,27H,3,5,13H2,1-2H3,(H,23,24,25)