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

Systemtic Name: 4-[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzenecarbonitrile Openeye Name: 4-(7-heptyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzonitrile CAS Name: 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-8-purinyl)oxy]benzonitrile IUPAC Name: 4-(7-heptyl-1,3-dimethyl-2,6-dioxopurin-8-yl)oxybenzonitrile Traditional Name: 4-(7-heptyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzonitrile Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H25N5O3/c1-4-5-6-7-8-13-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-11-9-15(14-22)10-12-16/h9-12H,4-8,13H2,1-3H3