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

Systemtic Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[8-(hydroxymethyl)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-(2,6-diketo-3-methyl-8-methylol-purin-7-yl)propionitrile Formula: C10H11N5O3 MolecularWeight: 249.22604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N5O3/c1-14-8-7(9(17)13-10(14)18)15(4-2-3-11)6(5-16)12-8/h16H,2,4-5H2,1H3,(H,13,17,18)