N-[2-[[2-phenyl-6-[[2-(phenylazanylmethyl)pyrrolidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-phenyl-6-[[2-(phenylazanylmethyl)pyrrolidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[[2-(anilinomethyl)pyrrolidin-1-yl]methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[[2-(anilinomethyl)-1-pyrrolidinyl]methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[[2-(anilinomethyl)pyrrolidin-1-yl]methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[[2-(anilinomethyl)pyrrolidino]methyl]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)CN3CCCC3CNC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)CN3CCCC3CNC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N7O/c1-20(36)29-14-15-30-27-25-17-23(32-28(25)34-26(33-27)21-9-4-2-5-10-21)19-35-16-8-13-24(35)18-31-22-11-6-3-7-12-22/h2-7,9-12,17,24,31H,8,13-16,18-19H2,1H3,(H,29,36)(H2,30,32,33,34)