2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: 2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-(1-ethylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 2-[4-(4-acetylpiperazino)anilino]-7-(1-ethylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C23H30N6O2 MolecularWeight: 422.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O2/c1-4-19(5-2)29-21(31)14-17-15-24-23(26-22(17)29)25-18-6-8-20(9-7-18)28-12-10-27(11-13-28)16(3)30/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,24,25,26)