(2E)-N-(2-azanyl-5-nitroso-6-phenylmethoxy-pyrimidin-4-yl)-3,7-dimethyl-octa-2,6-dienamide

Systemtic Name: (2E)-N-(2-azanyl-5-nitroso-6-phenylmethoxy-pyrimidin-4-yl)-3,7-dimethyl-octa-2,6-dienamide Openeye Name: (2E)-N-(2-amino-6-benzyloxy-5-nitroso-pyrimidin-4-yl)-3,7-dimethyl-octa-2,6-dienamide CAS Name: (2E)-N-(2-amino-5-nitroso-6-phenylmethoxy-4-pyrimidinyl)-3,7-dimethylocta-2,6-dienamide IUPAC Name: (2E)-N-(2-amino-5-nitroso-6-phenylmethoxypyrimidin-4-yl)-3,7-dimethylocta-2,6-dienamide Traditional Name: (2E)-N-(2-amino-6-benzoxy-5-nitroso-pyrimidin-4-yl)-3,7-dimethyl-octa-2,6-dienamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC(=O)NC1=C(C(=NC(=N1)N)OCC2=CC=CC=C2)N=O)C)C

Isomeric SMILES

CC(=CCC/C(=C/C(=O)NC1=C(C(=NC(=N1)N)OCC2=CC=CC=C2)N=O)/C)C

InChI

InChI=1S/C21H25N5O3/c1-14(2)8-7-9-15(3)12-17(27)23-19-18(26-28)20(25-21(22)24-19)29-13-16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3,(H3,22,23,24,25,27)/b15-12+