3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethyl-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N5O2S/c1-20-19-21(2)30-28(29-20)36-25-24(32-17-15-31(16-18-32)23-11-7-4-8-12-23)26(34)33(27(25)35)14-13-22-9-5-3-6-10-22/h3-12,19H,13-18H2,1-2H3