3-(2-oxidanylidene-6-prop-2-enoxy-3H-purin-9-yl)propanenitrile

Systemtic Name: 3-(2-oxidanylidene-6-prop-2-enoxy-3H-purin-9-yl)propanenitrile Openeye Name: 3-(6-allyloxy-2-oxo-3H-purin-9-yl)propanenitrile CAS Name: 3-(2-oxo-6-prop-2-enoxy-3H-purin-9-yl)propanenitrile IUPAC Name: 3-(2-oxo-6-prop-2-enoxy-3H-purin-9-yl)propanenitrile Traditional Name: 3-(6-allyloxy-2-keto-3H-purin-9-yl)propionitrile Formula: C11H11N5O2 MolecularWeight: 245.23734

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=NC(=O)NC2=C1N=CN2CCC#N

Isomeric SMILES

C=CCOC1=NC(=O)NC2=C1N=CN2CCC#N

InChI

InChI=1S/C11H11N5O2/c1-2-6-18-10-8-9(14-11(17)15-10)16(7-13-8)5-3-4-12/h2,7H,1,3,5-6H2,(H,14,15,17)