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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-oxidanylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O5/c1-19-10-18-14-13(19)15(23)21(17(25)20(14)2)8-5-9-26-16(24)11-6-3-4-7-12(11)22/h3-4,6-7,10,22H,5,8-9H2,1-2H3