[1-[[5-(4-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl]amino]-3-phenyl-propan-2-yl]carbamic acid

Systemtic Name: [1-[[5-(4-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl]amino]-3-phenyl-propan-2-yl]carbamic acid Openeye Name: [1-benzyl-2-[[5-(7-bromo-1-oxo-isoindolin-2-yl)-1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[5-(4-bromo-3-oxo-1H-isoindol-2-yl)-1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl]amino]-3-phenylpropan-2-yl]carbamic acid IUPAC Name: [1-[[5-(4-bromo-3-oxo-1H-isoindol-2-yl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl]amino]-3-phenylpropan-2-yl]carbamic acid Traditional Name: [1-benzyl-2-[[5-(7-bromo-1-keto-isoindolin-2-yl)-6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C28H25BrN6O4 MolecularWeight: 589.4399

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)NC(=O)O)C3=CC=NC=C3)N4CC5=C(C4=O)C(=CC=C5)Br

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)NC(=O)O)C3=CC=NC=C3)N4CC5=C(C4=O)C(=CC=C5)Br

InChI

InChI=1S/C28H25BrN6O4/c1-34-26(37)24(35-16-19-8-5-9-21(29)22(19)25(35)36)23(18-10-12-30-13-11-18)33-27(34)31-15-20(32-28(38)39)14-17-6-3-2-4-7-17/h2-13,20,32H,14-16H2,1H3,(H,31,33)(H,38,39)