butyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: butyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: butyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid butyl ester IUPAC Name: butyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid butyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCOC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

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