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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(4-phenylpiperazino)-3-pyrroline-2,5-quinone Formula: C27H27N5O2S MolecularWeight: 485.60058

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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)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H27N5O2S/c1-19-17-20(2)29-27(28-19)35-24-23(25(33)32(26(24)34)18-21-9-5-3-6-10-21)31-15-13-30(14-16-31)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3