5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]furan-2-carbaldehyde

Systemtic Name: 5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]furan-2-carbaldehyde Openeye Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)furan-2-carbaldehyde CAS Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-furancarboxaldehyde IUPAC Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)furan-2-carbaldehyde Traditional Name: 5-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)furfural Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(O3)C=O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(O3)C=O

InChI

InChI=1S/C16H18N4O4/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)11-6-5-10(9-21)24-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)