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

Systemtic Name: N-butyl-7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-butyl-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-butyl-7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-butyl-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: butyl-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C23H23ClN4 MolecularWeight: 390.90852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4/c1-3-4-12-25-22-21-19(17-8-6-5-7-9-17)14-28(23(21)27-15-26-22)18-11-10-16(2)20(24)13-18/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,26,27)