5-[[bis(phenylmethyl)amino]methyl]-4-chloranyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide

Systemtic Name: 5-[[bis(phenylmethyl)amino]methyl]-4-chloranyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide Openeye Name: 4-chloro-5-[(dibenzylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide CAS Name: 5-[[bis(phenylmethyl)amino]methyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide IUPAC Name: 4-chloro-5-[(dibenzylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide Traditional Name: 4-chloro-5-[(dibenzylamino)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carboxamide Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CNC4=C3C(=NC(=N4)C(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CNC4=C3C(=NC(=N4)C(=O)N)Cl

InChI

InChI=1S/C22H20ClN5O/c23-19-18-17(11-25-21(18)27-22(26-19)20(24)29)14-28(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-11H,12-14H2,(H2,24,29)(H,25,26,27)