[1-[[5-(4-ethyl-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-ethyl-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-ethyl-1-oxo-isoindolin-2-yl)-1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[5-(4-ethyl-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-ethyl-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-ethyl-1-keto-isoindolin-2-yl)-6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C30H30N6O4 MolecularWeight: 538.597

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C(=O)N(C2)C3=C(N=C(N(C3=O)C)NCC(CC4=CC=CC=C4)NC(=O)O)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=CC2=C1C(=O)N(C2)C3=C(N=C(N(C3=O)C)NCC(CC4=CC=CC=C4)NC(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C30H30N6O4/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/h4-15,23,33H,3,16-18H2,1-2H3,(H,32,34)(H,39,40)