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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-pyrrolidin-1-yl-purin-7-yl]propanenitrile Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-8-pyrrolidin-1-yl-purin-7-yl)propanenitrile CAS Name: 3-[1,3-dimethyl-2,6-dioxo-8-(1-pyrrolidinyl)-7-purinyl]propanenitrile IUPAC Name: 3-(1,3-dimethyl-2,6-dioxo-8-pyrrolidin-1-ylpurin-7-yl)propanenitrile Traditional Name: 3-(2,6-diketo-1,3-dimethyl-8-pyrrolidino-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)N(C1=O)C)N(C(=N2)N3CCCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CCC#N

InChI

InChI=1S/C14H18N6O2/c1-17-11-10(12(21)18(2)14(17)22)20(9-5-6-15)13(16-11)19-7-3-4-8-19/h3-5,7-9H2,1-2H3