3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)-4-piperidin-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)-4-piperidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(1-piperidyl)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)-4-(1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-piperidin-1-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-piperidino-3-pyrroline-2,5-quinone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCCCC4)C

InChI

InChI=1S/C22H24N4O2S/c1-15-13-16(2)24-22(23-15)29-19-18(25-11-7-4-8-12-25)20(27)26(21(19)28)14-17-9-5-3-6-10-17/h3,5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3