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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxybenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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-methoxybenzoate Traditional Name: 3-methoxybenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-20-11-19-15-14(20)16(23)22(18(25)21(15)2)8-5-9-27-17(24)12-6-4-7-13(10-12)26-3/h4,6-7,10-11H,5,8-9H2,1-3H3