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

Systemtic Name: N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxamide IUPAC Name: N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C18H19BrN6O MolecularWeight: 415.28706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O/c1-12-10-20-16-15(12)17(22-11-21-16)24-5-7-25(8-6-24)18(26)23-14-4-2-3-13(19)9-14/h2-4,9-11H,5-8H2,1H3,(H,23,26)(H,20,21,22)