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

Systemtic Name: 4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]oxy]benzenecarbonitrile Openeye Name: 4-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzonitrile CAS Name: 4-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzonitrile IUPAC Name: 4-[(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzonitrile Traditional Name: 4-[(2,6-diketo-1,3,7-trimethyl-4,5-dihydropurin-8-yl)oxy]benzonitrile Formula: C15H15N5O3 MolecularWeight: 313.3113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2C(N=C1OC3=CC=C(C=C3)C#N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H15N5O3/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)23-10-6-4-9(8-16)5-7-10/h4-7,11-12H,1-3H3