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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]propanenitrile Openeye Name: 3-[1,3-dimethyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]propanenitrile CAS Name: 3-[1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]propanenitrile IUPAC Name: 3-(1,3-dimethyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-1,3-dimethyl-8-piperidino-purin-7-yl)propionitrile Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCC#N

InChI

InChI=1S/C15H20N6O2/c1-18-12-11(13(22)19(2)15(18)23)21(10-6-7-16)14(17-12)20-8-4-3-5-9-20/h3-6,8-10H2,1-2H3