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

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-phenyl-7-(4-propoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[(3-chlorophenyl)methyl]-5-phenyl-7-(4-propoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[(3-chlorophenyl)methyl]-5-phenyl-7-(4-propoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[(3-chlorophenyl)methyl]-5-phenyl-7-(4-propoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-chlorobenzyl)-[5-phenyl-7-(4-propoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C28H25ClN4O MolecularWeight: 468.9773

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O/c1-2-15-34-24-13-11-23(12-14-24)33-18-25(21-8-4-3-5-9-21)26-27(31-19-32-28(26)33)30-17-20-7-6-10-22(29)16-20/h3-14,16,18-19H,2,15,17H2,1H3,(H,30,31,32)