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

Systemtic Name: N-[(3-chlorophenyl)methyl]-5,7-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chlorophenyl)methyl]-5,7-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chlorophenyl)methyl]-5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chlorophenyl)methyl]-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chlorobenzyl)-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C25H19ClN4 MolecularWeight: 410.89816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H19ClN4/c26-20-11-7-8-18(14-20)15-27-24-23-22(19-9-3-1-4-10-19)16-30(25(23)29-17-28-24)21-12-5-2-6-13-21/h1-14,16-17H,15H2,(H,27,28,29)