7-(4-ethoxyphenyl)-N-(3-methylbutyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(4-ethoxyphenyl)-N-(3-methylbutyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-ethoxyphenyl)-N-isopentyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-ethoxyphenyl)-N-(3-methylbutyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-ethoxyphenyl)-N-(3-methylbutyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: isoamyl-(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-4-30-21-12-10-20(11-13-21)29-16-22(19-8-6-5-7-9-19)23-24(26-15-14-18(2)3)27-17-28-25(23)29/h5-13,16-18H,4,14-15H2,1-3H3,(H,26,27,28)