3-ethoxy-4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxy-benzaldehyde

Systemtic Name: 3-ethoxy-4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxy-benzaldehyde Openeye Name: 3-ethoxy-4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)oxy-benzaldehyde CAS Name: 3-ethoxy-4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)oxy]benzaldehyde IUPAC Name: 3-ethoxy-4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)oxybenzaldehyde Traditional Name: 4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)oxy-3-ethoxy-benzaldehyde Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18N4O5/c1-5-25-12-8-10(9-22)6-7-11(12)26-16-18-14-13(19(16)2)15(23)21(4)17(24)20(14)3/h6-9H,5H2,1-4H3