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2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-isoquinoline-1,3-dione

2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-isoquinoline-1,3-dione

Systemtic Name:2-[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-isoquinoline-1,3-dione
Openeye Name:2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-isoquinoline-1,3-dione
CAS Name:2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4H-isoquinoline-1,3-dione
IUPAC Name:2-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4H-isoquinoline-1,3-dione
Traditional Name:2-[2-hydroxy-3-[4-(2-pyrimidyl)piperazino]propyl]-4H-isoquinoline-1,3-quinone
Formula: C20H23N5O3
MolecularWeight: 381.42832
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2C(=O)CC3=CC=CC=C3C2=O)O)C4=NC=CC=N4


Isomeric SMILES

C1CN(CCN1CC(CN2C(=O)CC3=CC=CC=C3C2=O)O)C4=NC=CC=N4


InChI

InChI=1S/C20H23N5O3/c26-16(13-23-8-10-24(11-9-23)20-21-6-3-7-22-20)14-25-18(27)12-15-4-1-2-5-17(15)19(25)28/h1-7,16,26H,8-14H2


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