methyl 2-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: methyl 2-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-[8-(2-furylmethylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[8-(2-furanylmethylamino)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[8-(2-furfurylamino)-2,6-diketo-1,3-dimethyl-purin-7-yl]acetic acid methyl ester Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC(=O)OC

InChI

InChI=1S/C15H17N5O5/c1-18-12-11(13(22)19(2)15(18)23)20(8-10(21)24-3)14(17-12)16-7-9-5-4-6-25-9/h4-6H,7-8H2,1-3H3,(H,16,17)