1-(3,4-dimethylphenyl)-3-pyrimidin-2-ylsulfanyl-pyrrolidine-2,5-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-3-pyrimidin-2-ylsulfanyl-pyrrolidine-2,5-dione Openeye Name: 1-(3,4-dimethylphenyl)-3-pyrimidin-2-ylsulfanyl-pyrrolidine-2,5-dione CAS Name: 1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione IUPAC Name: 1-(3,4-dimethylphenyl)-3-pyrimidin-2-ylsulfanylpyrrolidine-2,5-dione Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-pyrimidylthio)pyrrolidine-2,5-quinone Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3)C

InChI

InChI=1S/C16H15N3O2S/c1-10-4-5-12(8-11(10)2)19-14(20)9-13(15(19)21)22-16-17-6-3-7-18-16/h3-8,13H,9H2,1-2H3