methyl 2-[4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)phenoxy]acetate CAS Name: 2-[4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)phenoxy]acetate Traditional Name: 2-[4-(2,6-diketo-1-propyl-3,7-dihydropurin-8-yl)phenoxy]acetic acid methyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)OCC(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)OCC(=O)OC

InChI

InChI=1S/C17H18N4O5/c1-3-8-21-16(23)13-15(20-17(21)24)19-14(18-13)10-4-6-11(7-5-10)26-9-12(22)25-2/h4-7H,3,8-9H2,1-2H3,(H,18,19)(H,20,24)