4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]oxybenzenecarbonitrile Openeye Name: 4-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzonitrile CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)oxy]benzonitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)oxybenzonitrile Traditional Name: 4-(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzonitrile Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C#N)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C#N)CC=C

InChI

InChI=1S/C17H15N5O3/c1-4-9-22-13-14(20(2)17(24)21(3)15(13)23)19-16(22)25-12-7-5-11(10-18)6-8-12/h4-8H,1,9H2,2-3H3