2-[1,3,8-trimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile

Systemtic Name: 2-[1,3,8-trimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-(1,3,8-trimethyl-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-(1,3,8-trimethyl-2,6-dioxo-7-purinyl)acetonitrile IUPAC Name: 2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(2,6-diketo-1,3,8-trimethyl-purin-7-yl)acetonitrile Formula: C10H11N5O2 MolecularWeight: 233.22664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC#N)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=NC2=C(N1CC#N)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H11N5O2/c1-6-12-8-7(15(6)5-4-11)9(16)14(3)10(17)13(8)2/h5H2,1-3H3