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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(benzylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)-4-[(phenylmethyl)amino]pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(benzylamino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(benzylamino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C24H22N4O2S MolecularWeight: 430.52208

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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)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NCC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N4O2S/c1-16-13-17(2)27-24(26-16)31-21-20(25-14-18-9-5-3-6-10-18)22(29)28(23(21)30)15-19-11-7-4-8-12-19/h3-13,25H,14-15H2,1-2H3