4-azanyl-N-(1,3-benzothiazol-2-ylmethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-(1,3-benzothiazol-2-ylmethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-(1,3-benzothiazol-2-ylmethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C20H21N7OS MolecularWeight: 407.49204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=NC3=CC=CC=C3S2)N)C4=NC=NC5=C4C=CN5

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=NC3=CC=CC=C3S2)N)C4=NC=NC5=C4C=CN5

InChI

InChI=1S/C20H21N7OS/c21-20(19(28)23-11-16-26-14-3-1-2-4-15(14)29-16)6-9-27(10-7-20)18-13-5-8-22-17(13)24-12-25-18/h1-5,8,12H,6-7,9-11,21H2,(H,23,28)(H,22,24,25)