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

Systemtic Name: 4-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzaldehyde Openeye Name: 4-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)oxybenzaldehyde CAS Name: 4-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)oxy]benzaldehyde IUPAC Name: 4-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)oxybenzaldehyde Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)oxybenzaldehyde Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1OC3=CC=C(C=C3)C=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1OC3=CC=C(C=C3)C=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H28N4O4/c1-4-5-6-7-8-9-14-26-18-19(24(2)22(29)25(3)20(18)28)23-21(26)30-17-12-10-16(15-27)11-13-17/h10-13,15H,4-9,14H2,1-3H3