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

Systemtic Name: N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide Openeye Name: N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamidine CAS Name: N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinecarboximidamide IUPAC Name: N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide Traditional Name: N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamidine Formula: C19H19BrN8 MolecularWeight: 439.31176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C(=NC=N2)N3CCN(CC3)C(=NC4=CC(=CC=C4)Br)NC#N

Isomeric SMILES

CC1=CNC2=C1C(=NC=N2)N3CCN(CC3)C(=NC4=CC(=CC=C4)Br)NC#N

InChI

InChI=1S/C19H19BrN8/c1-13-10-22-17-16(13)18(25-12-24-17)27-5-7-28(8-6-27)19(23-11-21)26-15-4-2-3-14(20)9-15/h2-4,9-10,12H,5-8H2,1H3,(H,23,26)(H,22,24,25)