1-[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide

Systemtic Name: 1-[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide Openeye Name: 1-[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide CAS Name: 1-[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-piperidinecarboxamide IUPAC Name: 1-[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide Traditional Name: 1-[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]nipecotamide Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=NC3=C2C=C(N3)C4=CC(=CC=C4)N)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=NC=NC3=C2C=C(N3)C4=CC(=CC=C4)N)C(=O)N

InChI

InChI=1S/C18H20N6O/c19-13-5-1-3-11(7-13)15-8-14-17(23-15)21-10-22-18(14)24-6-2-4-12(9-24)16(20)25/h1,3,5,7-8,10,12H,2,4,6,9,19H2,(H2,20,25)(H,21,22,23)