3-[1,3-dimethyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile

Systemtic Name: 3-[1,3-dimethyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-(1,3-dimethyl-8-morpholino-2,6-dioxo-purin-7-yl)propanenitrile CAS Name: 3-[1,3-dimethyl-8-(4-morpholinyl)-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-1,3-dimethyl-8-morpholino-purin-7-yl)propionitrile Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCC#N

InChI

InChI=1S/C14H18N6O3/c1-17-11-10(12(21)18(2)14(17)22)20(5-3-4-15)13(16-11)19-6-8-23-9-7-19/h3,5-9H2,1-2H3