2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetonitrile CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetonitrile IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetonitrile Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)acetonitrile Formula: C16H15N5O2 MolecularWeight: 309.3226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC#N

InChI

InChI=1S/C16H15N5O2/c1-2-19-11-18-14-13(19)15(22)20(9-8-17)16(23)21(14)10-12-6-4-3-5-7-12/h3-7,11H,2,9-10H2,1H3