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

Systemtic Name: N-[(3-chlorophenyl)methyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chlorophenyl)methyl]-7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chlorophenyl)methyl]-7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chlorophenyl)methyl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chlorobenzyl)-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C26H21ClN4O MolecularWeight: 440.92414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClN4O/c1-32-22-12-10-21(11-13-22)31-16-23(19-7-3-2-4-8-19)24-25(29-17-30-26(24)31)28-15-18-6-5-9-20(27)14-18/h2-14,16-17H,15H2,1H3,(H,28,29,30)