2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7-pentan-3-yl-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

Systemtic Name: 2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7-pentan-3-yl-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-(1-ethylpropyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-7-pentan-3-yl-6-pyrrolo[2,3-d]pyrimidinecarboxaldehyde IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde Traditional Name: 2-[4-(4-acetylpiperazino)anilino]-7-(1-ethylpropyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde Formula: C24H30N6O2 MolecularWeight: 434.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)C=O

Isomeric SMILES

CCC(CC)N1C(=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C)C=O

InChI

InChI=1S/C24H30N6O2/c1-4-20(5-2)30-22(16-31)14-18-15-25-24(27-23(18)30)26-19-6-8-21(9-7-19)29-12-10-28(11-13-29)17(3)32/h6-9,14-16,20H,4-5,10-13H2,1-3H3,(H,25,26,27)