methyl 5-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]furan-2-carboxylate CAS Name: 5-[(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C14H13ClN4O5 MolecularWeight: 352.72982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C14H13ClN4O5/c1-17-10-9(11(20)18(2)14(17)22)19(13(15)16-10)6-7-4-5-8(24-7)12(21)23-3/h4-5H,6H2,1-3H3