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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCC#N

InChI

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