N-[6-(4-azanyl-7-cyclobutyl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[6-(4-azanyl-7-cyclobutyl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-(4-amino-7-cyclobutyl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-(4-amino-7-cyclobutyl-5-pyrrolo[2,3-d]pyrimidinyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-(4-amino-7-cyclobutylpyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-(4-amino-7-cyclobutyl-pyrrolo[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5CCC5

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5CCC5

InChI

InChI=1S/C19H18N6OS/c1-10(26)23-19-24-14-6-5-11(7-15(14)27-19)13-8-25(12-3-2-4-12)18-16(13)17(20)21-9-22-18/h5-9,12H,2-4H2,1H3,(H2,20,21,22)(H,23,24,26)