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

Systemtic Name: 2-[3-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]propyl]isoindoline-1,3-quinone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O3S/c1-16-14-20(27)25(23(24-16)30-15-17-8-3-2-4-9-17)12-7-13-26-21(28)18-10-5-6-11-19(18)22(26)29/h2-6,8-11,14H,7,12-13,15H2,1H3