[1-[[5-(4-ethenyl-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-ethenyl-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-[[1-methyl-6-oxo-5-(1-oxo-7-vinyl-isoindolin-2-yl)-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[5-(4-ethenyl-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-ethenyl-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-[[6-keto-5-(1-keto-7-vinyl-isoindolin-2-yl)-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C30H28N6O4 MolecularWeight: 536.58112

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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=O)C=C

Isomeric SMILES

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

InChI

InChI=1S/C30H28N6O4/c1-3-20-10-7-11-22-18-36(27(37)24(20)22)26-25(21-12-14-31-15-13-21)34-29(35(2)28(26)38)32-17-23(33-30(39)40)16-19-8-5-4-6-9-19/h3-15,23,33H,1,16-18H2,2H3,(H,32,34)(H,39,40)