N-butyl-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-butyl-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-butyl-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-butyl-7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-butyl-7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: butyl-[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C22H21ClN4 MolecularWeight: 376.88194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCNC1=NC=NC2=C1C(=CN2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4/c1-2-3-12-24-21-20-19(16-8-5-4-6-9-16)14-27(22(20)26-15-25-21)18-11-7-10-17(23)13-18/h4-11,13-15H,2-3,12H2,1H3,(H,24,25,26)