N-tert-butyl-N-[2-[6-(3-chloranylthiophen-2-yl)-4-oxidanylidene-7-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]ethanamide

Systemtic Name: N-tert-butyl-N-[2-[6-(3-chloranylthiophen-2-yl)-4-oxidanylidene-7-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]ethanamide Openeye Name: N-tert-butyl-N-[2-[6-(3-chloro-2-thienyl)-4-oxo-7-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide CAS Name: N-tert-butyl-N-[2-[6-(3-chloro-2-thiophenyl)-4-oxo-7-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide IUPAC Name: N-tert-butyl-N-[2-[6-(3-chlorothiophen-2-yl)-4-oxo-7-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide Traditional Name: N-tert-butyl-N-[2-[6-(3-chloro-2-thienyl)-4-keto-7-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]acetamide Formula: C21H23ClN6O2S MolecularWeight: 458.96432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCN1C(=C(C2=C1C(=O)N=CN2)C3=CNN=C3)C4=C(C=CS4)Cl)C(C)(C)C

Isomeric SMILES

CC(=O)N(CCN1C(=C(C2=C1C(=O)N=CN2)C3=CNN=C3)C4=C(C=CS4)Cl)C(C)(C)C

InChI

InChI=1S/C21H23ClN6O2S/c1-12(29)28(21(2,3)4)7-6-27-17(19-14(22)5-8-31-19)15(13-9-25-26-10-13)16-18(27)20(30)24-11-23-16/h5,8-11H,6-7H2,1-4H3,(H,25,26)(H,23,24,30)