4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide Formula: C21H21N7OS MolecularWeight: 419.50274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCC(=CC1)C2=CC3=C(N2)N=CN=C3NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCNC(=O)N1CCC(=CC1)C2=CC3=C(N2)N=CN=C3NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H21N7OS/c1-2-22-21(29)28-7-5-13(6-8-28)17-10-15-19(23-11-24-20(15)27-17)26-14-3-4-16-18(9-14)30-12-25-16/h3-5,9-12H,2,6-8H2,1H3,(H,22,29)(H2,23,24,26,27)