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2-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]butanenitrile

2-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]butanenitrile

Systemtic Name:2-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-purin-9-yl]butanenitrile
Openeye Name:2-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]butanenitrile
CAS Name:2-[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-9-purinyl]butanenitrile
IUPAC Name:2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]butanenitrile
Traditional Name:2-[6-(2-aminopyrimidin-5-yl)-2-morpholino-purin-9-yl]butyronitrile
Formula: C17H19N9O
MolecularWeight: 365.39246
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)N1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N


Isomeric SMILES

CCC(C#N)N1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N


InChI

InChI=1S/C17H19N9O/c1-2-12(7-18)26-10-22-14-13(11-8-20-16(19)21-9-11)23-17(24-15(14)26)25-3-5-27-6-4-25/h8-10,12H,2-6H2,1H3,(H2,19,20,21)


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