ethyl 4-[[5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-cyano-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-cyano-6-(2-methoxy-2-oxo-ethyl)sulfanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-cyano-6-[(2-methoxy-2-oxoethyl)thio]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C(=C(N3)SCC(=O)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C(=C(N3)SCC(=O)OC)C#N)C

InChI

InChI=1S/C20H19N5O4S/c1-4-29-20(27)12-5-7-13(8-6-12)24-17-16-14(9-21)19(30-10-15(26)28-3)25-18(16)23-11(2)22-17/h5-8H,4,10H2,1-3H3,(H2,22,23,24,25)