4-azanyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: 4-azanyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 4-amino-N-[(2-phenylthiazol-5-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: 4-amino-N-[(2-phenyl-5-thiazolyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinecarboxamide IUPAC Name: 4-amino-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 4-amino-N-[(2-phenylthiazol-5-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)NCC2=CN=C(S2)C3=CC=CC=C3)N)C4=NC=NC5=C4C=CN5

Isomeric SMILES

C1CN(CCC1(C(=O)NCC2=CN=C(S2)C3=CC=CC=C3)N)C4=NC=NC5=C4C=CN5

InChI

InChI=1S/C22H23N7OS/c23-22(7-10-29(11-8-22)19-17-6-9-24-18(17)27-14-28-19)21(30)26-13-16-12-25-20(31-16)15-4-2-1-3-5-15/h1-6,9,12,14H,7-8,10-11,13,23H2,(H,26,30)(H,24,27,28)