(2S)-N-(3-cyanophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: (2S)-N-(3-cyanophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C20H21N7O MolecularWeight: 375.42704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C#N)C3=NC=NC4=C3C(=CN4)C

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)NC2=CC=CC(=C2)C#N)C3=NC=NC4=C3C(=CN4)C

InChI

InChI=1S/C20H21N7O/c1-13-10-22-18-17(13)19(24-12-23-18)26-6-7-27(14(2)11-26)20(28)25-16-5-3-4-15(8-16)9-21/h3-5,8,10,12,14H,6-7,11H2,1-2H3,(H,25,28)(H,22,23,24)/t14-/m0/s1