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

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]propanenitrile Openeye Name: 3-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]propanenitrile CAS Name: 3-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]propanenitrile IUPAC Name: 3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)propionitrile Formula: C14H18N6O2 MolecularWeight: 302.33172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCC#N

InChI

InChI=1S/C14H18N6O2/c1-18-11-10(12(21)17-14(18)22)20(9-5-6-15)13(16-11)19-7-3-2-4-8-19/h2-5,7-9H2,1H3,(H,17,21,22)