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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC#N)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC#N)NC=N2

InChI

InChI=1S/C10H11N5O2/c1-2-4-14-8-7(12-6-13-8)9(16)15(5-3-11)10(14)17/h6H,2,4-5H2,1H3,(H,12,13)