2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]butyl]isoindoline-1,3-quinone Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H23N3O2S/c1-13(2)18-21-14(3)12-17(22-18)26-11-7-6-10-23-19(24)15-8-4-5-9-16(15)20(23)25/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3