2-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C19H23N5O3/c1-13(24-17(26)14-5-2-3-6-15(14)18(24)27)16(25)22-9-11-23(12-10-22)19-20-7-4-8-21-19/h2-4,7-8,13-15H,5-6,9-12H2,1H3