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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-oxidanylnaphthalene-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C21H20N4O5/c1-23-12-22-18-17(23)19(27)25(21(29)24(18)2)8-5-9-30-20(28)15-10-13-6-3-4-7-14(13)11-16(15)26/h3-4,6-7,10-12,26H,5,8-9H2,1-2H3