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

Systemtic Name: 3-[8-(chloromethyl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[8-(chloromethyl)-3-methyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[8-(chloromethyl)-3-methyl-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[8-(chloromethyl)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[8-(chloromethyl)-2,6-diketo-3-methyl-purin-7-yl]propionitrile Formula: C10H10ClN5O2 MolecularWeight: 267.6717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10ClN5O2/c1-15-8-7(9(17)14-10(15)18)16(4-2-3-12)6(5-11)13-8/h2,4-5H2,1H3,(H,14,17,18)