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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-phenylazanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-anilino-1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-anilino-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-anilino-1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 3-anilino-1-benzyl-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C23H20N4O2S MolecularWeight: 416.4955

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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)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H20N4O2S/c1-15-13-16(2)25-23(24-15)30-20-19(26-18-11-7-4-8-12-18)21(28)27(22(20)29)14-17-9-5-3-6-10-17/h3-13,26H,14H2,1-2H3