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

Systemtic Name: 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-4,5-dihydropurin-8-yl]oxy]benzaldehyde Openeye Name: 4-[(7-allyl-1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)oxy]benzaldehyde CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-4,5-dihydropurin-8-yl)oxy]benzaldehyde IUPAC Name: 4-[(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-4,5-dihydropurin-8-yl)oxy]benzaldehyde Traditional Name: 4-[(7-allyl-2,6-diketo-1,3-dimethyl-4,5-dihydropurin-8-yl)oxy]benzaldehyde Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C=O)CC=C

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)C=O)CC=C

InChI

InChI=1S/C17H18N4O4/c1-4-9-21-13-14(19(2)17(24)20(3)15(13)23)18-16(21)25-12-7-5-11(10-22)6-8-12/h4-8,10,13-14H,1,9H2,2-3H3