2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-naphthalen-1-yl-ethanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-6-chloranyl-pyrimidin-2-yl]sulfanyl-2-naphthalen-1-yl-ethanoic acid Openeye Name: 2-[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]sulfanyl-2-(1-naphthyl)acetic acid CAS Name: 2-[[4-(4-bromo-2,3-dimethylanilino)-6-chloro-2-pyrimidinyl]thio]-2-(1-naphthalenyl)acetic acid IUPAC Name: 2-[4-(4-bromo-2,3-dimethylanilino)-6-chloropyrimidin-2-yl]sulfanyl-2-naphthalen-1-ylacetic acid Traditional Name: 2-[[4-(4-bromo-2,3-dimethyl-anilino)-6-chloro-pyrimidin-2-yl]thio]-2-(1-naphthyl)acetic acid Formula: C24H19BrClN3O2S MolecularWeight: 528.84856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC2=CC(=NC(=N2)SC(C3=CC=CC4=CC=CC=C43)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC2=CC(=NC(=N2)SC(C3=CC=CC4=CC=CC=C43)C(=O)O)Cl

InChI

InChI=1S/C24H19BrClN3O2S/c1-13-14(2)19(11-10-18(13)25)27-21-12-20(26)28-24(29-21)32-22(23(30)31)17-9-5-7-15-6-3-4-8-16(15)17/h3-12,22H,1-2H3,(H,30,31)(H,27,28,29)