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

Systemtic Name: propan-2-yl 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O4/c1-6(2)21-7(18)5-17-8-9(14-11(17)13)15(3)12(20)16(4)10(8)19/h6H,5H2,1-4H3