2-[3-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-15-14-19(26)25(16-8-3-2-4-9-16)22(23-15)29-13-7-12-24-20(27)17-10-5-6-11-18(17)21(24)28/h2-6,8-11,14H,7,12-13H2,1H3