(2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-piperidin-4-yl-piperazine-1-carboximidamide

Systemtic Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-piperidin-4-yl-piperazine-1-carboximidamide Openeye Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-(4-piperidyl)piperazine-1-carboxamidine CAS Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-(4-piperidinyl)-1-piperazinecarboximidamide IUPAC Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-piperidin-4-ylpiperazine-1-carboximidamide Traditional Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-(4-piperidyl)piperazine-1-carboxamidine Formula: C19H27N9 MolecularWeight: 381.47798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=NC2CCNCC2)NC#N)C3=NC=NC4=C3C(=CN4)C

Isomeric SMILES

C[C@H]1CN(CCN1C(=NC2CCNCC2)NC#N)C3=NC=NC4=C3C(=CN4)C

InChI

InChI=1S/C19H27N9/c1-13-9-22-17-16(13)18(25-12-24-17)27-7-8-28(14(2)10-27)19(23-11-20)26-15-3-5-21-6-4-15/h9,12,14-15,21H,3-8,10H2,1-2H3,(H,23,26)(H,22,24,25)/t14-/m0/s1