[1-[[5-(7-chloranyl-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-(7-chloranyl-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-(4-chloro-1-oxo-isoindolin-2-yl)-1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[5-(7-chloro-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-(7-chloro-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-(4-chloro-1-keto-isoindolin-2-yl)-6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C28H25ClN6O4 MolecularWeight: 544.9889

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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=C5Cl

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=C5Cl

InChI

InChI=1S/C28H25ClN6O4/c1-34-26(37)24(35-16-21-20(25(35)36)8-5-9-22(21)29)23(18-10-12-30-13-11-18)33-27(34)31-15-19(32-28(38)39)14-17-6-3-2-4-7-17/h2-13,19,32H,14-16H2,1H3,(H,31,33)(H,38,39)