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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]oxybenzenecarbonitrile Openeye Name: 4-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzonitrile CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)oxy]benzonitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)oxybenzonitrile Traditional Name: 4-(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzonitrile Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H17N5O3/c1-10(2)22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-12-7-5-11(9-18)6-8-12/h5-8,10H,1-4H3