2-butyl-5-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C

InChI

InChI=1S/C25H31N5O3/c1-5-6-9-30-24(32)19-8-7-18(15-20(19)25(30)33)23(31)29-12-10-28(11-13-29)21-14-17(4)26-22(27-21)16(2)3/h7-8,14-16H,5-6,9-13H2,1-4H3