tert-butyl 2-[[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[3-[[4-[(3-bromophenyl)thio]-2-pyrimidinyl]amino]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-[[4-[(3-bromophenyl)thio]pyrimidin-2-yl]amino]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H28BrN5O3S MolecularWeight: 570.50122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)SC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)SC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H28BrN5O3S/c1-26(2,3)35-25(34)32-14-6-11-21(32)23(33)29-18-8-5-9-19(16-18)30-24-28-13-12-22(31-24)36-20-10-4-7-17(27)15-20/h4-5,7-10,12-13,15-16,21H,6,11,14H2,1-3H3,(H,29,33)(H,28,30,31)