2-prop-2-enyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-prop-2-enyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 2-prop-2-enyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C20H19N5O3 MolecularWeight: 377.39656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H19N5O3/c1-2-8-25-18(27)15-5-4-14(13-16(15)19(25)28)17(26)23-9-11-24(12-10-23)20-21-6-3-7-22-20/h2-7,13H,1,8-12H2