5-methyl-2-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]-5-methyl-isoindoline-1,3-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H21N5O3/c1-13-4-5-15-16(12-13)19(28)25(18(15)27)14(2)17(26)23-8-10-24(11-9-23)20-21-6-3-7-22-20/h3-7,12,14H,8-11H2,1-2H3