3-(6-oxidanylidenepurin-2-yl)-4-propoxy-benzenecarbonitrile

Systemtic Name: 3-(6-oxidanylidenepurin-2-yl)-4-propoxy-benzenecarbonitrile Openeye Name: 3-(6-oxopurin-2-yl)-4-propoxy-benzonitrile CAS Name: 3-(6-oxo-2-purinyl)-4-propoxybenzonitrile IUPAC Name: 3-(6-oxopurin-2-yl)-4-propoxybenzonitrile Traditional Name: 3-(6-ketopurin-2-yl)-4-propoxy-benzonitrile Formula: C15H11N5O2 MolecularWeight: 293.28014

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=NC=NC3=N2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=NC=NC3=N2

InChI

InChI=1S/C15H11N5O2/c1-2-5-22-11-4-3-9(7-16)6-10(11)13-19-14-12(15(21)20-13)17-8-18-14/h3-4,6,8H,2,5H2,1H3