[1-[[5-(1,3-dihydroisoindol-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-(1,3-dihydroisoindol-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-isoindolin-2-yl-1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[5-(1,3-dihydroisoindol-2-yl)-1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl]amino]-3-phenylpropan-2-yl]carbamic acid IUPAC Name: [1-[[5-(1,3-dihydroisoindol-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-isoindolin-2-yl-6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C28H28N6O3 MolecularWeight: 496.56032

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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=CC=CC=C5C4

Isomeric SMILES

CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)NC(=O)O)C3=CC=NC=C3)N4CC5=CC=CC=C5C4

InChI

InChI=1S/C28H28N6O3/c1-33-26(35)25(34-17-21-9-5-6-10-22(21)18-34)24(20-11-13-29-14-12-20)32-27(33)30-16-23(31-28(36)37)15-19-7-3-2-4-8-19/h2-14,23,31H,15-18H2,1H3,(H,30,32)(H,36,37)