3-[3-methyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ylmethyl)purin-7-yl]propanenitrile

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-8-(piperidin-1-ylmethyl)purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-2,6-dioxo-8-(1-piperidylmethyl)purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-2,6-dioxo-8-(1-piperidinylmethyl)-7-purinyl]propanenitrile IUPAC Name: 3-[3-methyl-2,6-dioxo-8-(piperidin-1-ylmethyl)purin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-(piperidinomethyl)purin-7-yl]propionitrile Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCC3)CCC#N

InChI

InChI=1S/C15H20N6O2/c1-19-13-12(14(22)18-15(19)23)21(9-5-6-16)11(17-13)10-20-7-3-2-4-8-20/h2-5,7-10H2,1H3,(H,18,22,23)