6-[3-(furan-2-ylmethyl)-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate

Systemtic Name: 6-[3-(furan-2-ylmethyl)-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Openeye Name: [5-[3-(2-furylmethyl)-7-methyl-2,6-dioxo-purin-1-yl]-1-methyl-pentyl] acetate CAS Name: acetic acid 6-[3-(2-furanylmethyl)-7-methyl-2,6-dioxo-1-purinyl]hexan-2-yl ester IUPAC Name: 6-[3-(furan-2-ylmethyl)-7-methyl-2,6-dioxopurin-1-yl]hexan-2-yl acetate Traditional Name: acetic acid [5-[3-(2-furfuryl)-2,6-diketo-7-methyl-purin-1-yl]-1-methyl-pentyl] ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CC3=CC=CO3)OC(=O)C

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CC3=CC=CO3)OC(=O)C

InChI

InChI=1S/C19H24N4O5/c1-13(28-14(2)24)7-4-5-9-22-18(25)16-17(20-12-21(16)3)23(19(22)26)11-15-8-6-10-27-15/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3