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

Systemtic Name: [1-[[1-methyl-5-(4-nitro-3-oxidanylidene-1H-isoindol-2-yl)-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl]amino]-3-phenyl-propan-2-yl]carbamic acid Openeye Name: [1-benzyl-2-[[1-methyl-5-(7-nitro-1-oxo-isoindolin-2-yl)-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid CAS Name: [1-[[1-methyl-5-(4-nitro-3-oxo-1H-isoindol-2-yl)-6-oxo-4-pyridin-4-yl-2-pyrimidinyl]amino]-3-phenylpropan-2-yl]carbamic acid IUPAC Name: [1-[[1-methyl-5-(4-nitro-3-oxo-1H-isoindol-2-yl)-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-nitro-isoindolin-2-yl)-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]amino]ethyl]carbamic acid Formula: C28H25N7O6 MolecularWeight: 555.5414

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C28H25N7O6/c1-33-26(37)24(34-16-19-8-5-9-21(35(40)41)22(19)25(34)36)23(18-10-12-29-13-11-18)32-27(33)30-15-20(31-28(38)39)14-17-6-3-2-4-7-17/h2-13,20,31H,14-16H2,1H3,(H,30,32)(H,38,39)