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

Systemtic Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-phenyl-piperazine-1-carboximidamide Openeye Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-phenyl-piperazine-1-carboxamidine CAS Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-phenyl-1-piperazinecarboximidamide IUPAC Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-phenylpiperazine-1-carboximidamide Traditional Name: (2S)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N'-phenyl-piperazine-1-carboxamidine Formula: C20H22N8 MolecularWeight: 374.44228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N8/c1-14-10-22-18-17(14)19(25-13-24-18)27-8-9-28(15(2)11-27)20(23-12-21)26-16-6-4-3-5-7-16/h3-7,10,13,15H,8-9,11H2,1-2H3,(H,23,26)(H,22,24,25)/t15-/m0/s1