2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 2-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propoxy]benzonitrile CAS Name: 2-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propoxy]benzonitrile IUPAC Name: 2-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propoxy]benzonitrile Traditional Name: 2-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propoxy]benzonitrile Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=CC=CC=C3C#N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC3=CC=CC=C3C#N

InChI

InChI=1S/C17H17N5O3/c1-20-11-19-15-14(20)16(23)22(17(24)21(15)2)8-5-9-25-13-7-4-3-6-12(13)10-18/h3-4,6-7,11H,5,8-9H2,1-2H3