3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C19H17ClN4O5 MolecularWeight: 416.81508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C19H17ClN4O5/c1-22-10-21-16-15(22)17(25)24(19(27)23(16)2)6-3-7-28-18(26)14-9-11-8-12(20)4-5-13(11)29-14/h4-5,8-10H,3,6-7H2,1-2H3