4-[4-(1,3-benzothiazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxamide Formula: C23H25N7OS MolecularWeight: 447.5559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7OS/c1-23(2,3)29-22(31)30-8-6-14(7-9-30)18-11-16-20(24-12-25-21(16)28-18)27-15-4-5-17-19(10-15)32-13-26-17/h4-6,10-13H,7-9H2,1-3H3,(H,29,31)(H2,24,25,27,28)