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

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]ethyl 2-methoxybenzoate Openeye Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]ethyl 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]ethyl ester IUPAC Name: 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]ethyl 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]ethyl ester Formula: C19H21N5O6 MolecularWeight: 415.39994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCOC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCCOC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C19H21N5O6/c1-22-16-15(17(26)23(2)19(22)28)24(11-21-16)10-14(25)20-8-9-30-18(27)12-6-4-5-7-13(12)29-3/h4-7,11H,8-10H2,1-3H3,(H,20,25)