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

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C18H21N5O3/c24-15(12-23-16(25)13-4-1-2-5-14(13)17(23)26)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h1-3,6-7,13-14H,4-5,8-12H2