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

Systemtic Name: N-[(3-chlorophenyl)methyl]-7-(4-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chlorophenyl)methyl]-5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chlorophenyl)methyl]-7-(4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chlorophenyl)methyl]-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chlorobenzyl)-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C26H21ClN4 MolecularWeight: 424.92474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H21ClN4/c1-18-10-12-22(13-11-18)31-16-23(20-7-3-2-4-8-20)24-25(29-17-30-26(24)31)28-15-19-6-5-9-21(27)14-19/h2-14,16-17H,15H2,1H3,(H,28,29,30)