2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-[[4-(2-pyrimidyl)piperazino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2C(C1)C(=O)N(C2=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H23N5O2/c23-15-13-4-1-2-5-14(13)16(24)22(15)12-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3,6-7,13-14H,1-2,4-5,8-12H2