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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)-4-(pyridin-3-ylmethylamino)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(3-pyridylmethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)-4-(3-pyridinylmethylamino)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(pyridin-3-ylmethylamino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(3-pyridylmethylamino)-3-pyrroline-2,5-quinone Formula: C23H21N5O2S MolecularWeight: 431.51014

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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=CN=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c1-15-11-16(2)27-23(26-15)31-20-19(25-13-18-9-6-10-24-12-18)21(29)28(22(20)30)14-17-7-4-3-5-8-17/h3-12,25H,13-14H2,1-2H3