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

Systemtic Name: 3-[8-(hexylamino)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[8-(hexylamino)-3-methyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[8-(hexylamino)-3-methyl-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[8-(hexylamino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[8-(hexylamino)-2,6-diketo-3-methyl-purin-7-yl]propionitrile Formula: C15H22N6O2 MolecularWeight: 318.37418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CCC#N)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CCC#N)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H22N6O2/c1-3-4-5-6-9-17-14-18-12-11(21(14)10-7-8-16)13(22)19-15(23)20(12)2/h3-7,9-10H2,1-2H3,(H,17,18)(H,19,22,23)