4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzamide

Systemtic Name: 4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzamide Openeye Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)OCC3CCCCC3)N=O)N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)OCC3CCCCC3)N=O)N

InChI

InChI=1S/C22H30N6O3/c1-3-28(4-2)21(29)16-10-12-17(13-11-16)24-22-25-19(23)18(27-30)20(26-22)31-14-15-8-6-5-7-9-15/h10-13,15H,3-9,14H2,1-2H3,(H3,23,24,25,26)