4-[[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]oxy]benzenecarbonitrile

Systemtic Name: 4-[[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]oxy]benzenecarbonitrile Openeye Name: 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzonitrile CAS Name: 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzonitrile IUPAC Name: 4-[(7-heptyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzonitrile Traditional Name: 4-[(7-heptyl-2,6-diketo-1,3-dimethyl-4,5-dihydropurin-8-yl)oxy]benzonitrile Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O3/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/h9-12,17-18H,4-8,13H2,1-3H3