N-[[4-azanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-4-chloranyl-benzamide

Systemtic Name: N-[[4-azanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-4-chloranyl-benzamide Openeye Name: N-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methyl]-4-chloro-benzamide CAS Name: N-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]methyl]-4-chlorobenzamide IUPAC Name: N-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-4-chlorobenzamide Traditional Name: N-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methyl]-4-chloro-benzamide Formula: C19H21ClN6O MolecularWeight: 384.86264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4

InChI

InChI=1S/C19H21ClN6O/c20-14-3-1-13(2-4-14)18(27)23-11-19(21)6-9-26(10-7-19)17-15-5-8-22-16(15)24-12-25-17/h1-5,8,12H,6-7,9-11,21H2,(H,23,27)(H,22,24,25)