3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-[4-(phenylmethyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-1-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethyl-4-[4-(phenylmethyl)-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-1-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C29H31N5O2S MolecularWeight: 513.65374

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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)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H31N5O2S/c1-21-19-22(2)31-29(30-21)37-26-25(27(35)34(28(26)36)14-13-23-9-5-3-6-10-23)33-17-15-32(16-18-33)20-24-11-7-4-8-12-24/h3-12,19H,13-18,20H2,1-2H3