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

Systemtic Name: 3-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-(3-methyl-8-morpholino-2,6-dioxo-purin-7-yl)propanenitrile CAS Name: 3-[3-methyl-8-(4-morpholinyl)-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-3-methyl-8-morpholino-purin-7-yl)propionitrile Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCC#N

InChI

InChI=1S/C13H16N6O3/c1-17-10-9(11(20)16-13(17)21)19(4-2-3-14)12(15-10)18-5-7-22-8-6-18/h2,4-8H2,1H3,(H,16,20,21)