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

Systemtic Name: tert-butyl 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: tert-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 tert-butyl ester IUPAC Name: tert-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 tert-butyl ester Formula: C13H17ClN4O4 MolecularWeight: 328.75148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H17ClN4O4/c1-13(2,3)22-7(19)6-18-8-9(15-11(18)14)16(4)12(21)17(5)10(8)20/h6H2,1-5H3