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

Systemtic Name: 3-[1-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)-3H-purin-7-yl]propanenitrile Openeye Name: 3-(1-methyl-8-morpholino-2,6-dioxo-3H-purin-7-yl)propanenitrile CAS Name: 3-[1-methyl-8-(4-morpholinyl)-2,6-dioxo-3H-purin-7-yl]propanenitrile IUPAC Name: 3-(1-methyl-8-morpholin-4-yl-2,6-dioxo-3H-purin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-1-methyl-8-morpholino-3H-purin-7-yl)propionitrile Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2CCC#N)N3CCOCC3

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2CCC#N)N3CCOCC3

InChI

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