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

Systemtic Name: 3-[8-(cyclohexylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[8-(cyclohexylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]propionitrile Formula: C16H22N6O2 MolecularWeight: 330.38488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CCC#N

InChI

InChI=1S/C16H22N6O2/c1-20-13-12(14(23)21(2)16(20)24)22(10-6-9-17)15(19-13)18-11-7-4-3-5-8-11/h11H,3-8,10H2,1-2H3,(H,18,19)