pentyl 2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: pentyl 2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: pentyl 2-(3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(3-methyl-2,6-dioxo-7-purinyl)acetic acid pentyl ester IUPAC Name: pentyl 2-(3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-3-methyl-purin-7-yl)acetic acid amyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C=NC2=C1C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCOC(=O)CN1C=NC2=C1C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O4/c1-3-4-5-6-21-9(18)7-17-8-14-11-10(17)12(19)15-13(20)16(11)2/h8H,3-7H2,1-2H3,(H,15,19,20)