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

Systemtic Name: N,N-dibutyl-7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N,N-dibutyl-7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N,N-dibutyl-7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N,N-dibutyl-7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: dibutyl-[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C27H31ClN4 MolecularWeight: 447.01484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC=NC2=C1C(=CN2C3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCC)C1=NC=NC2=C1C(=CN2C3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H31ClN4/c1-4-6-15-31(16-7-5-2)26-25-23(21-11-9-8-10-12-21)18-32(27(25)30-19-29-26)22-14-13-20(3)24(28)17-22/h8-14,17-19H,4-7,15-16H2,1-3H3