butyl 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: butyl 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: butyl 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid butyl ester IUPAC Name: butyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid butyl ester Formula: C13H17ClN4O4 MolecularWeight: 328.75148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCOC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H17ClN4O4/c1-4-5-6-22-8(19)7-18-9-10(15-12(18)14)16(2)13(21)17(3)11(9)20/h4-7H2,1-3H3