2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C19H21ClN4O6 MolecularWeight: 436.84624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC

InChI

InChI=1S/C19H21ClN4O6/c1-5-29-15-12(20)8-11(9-13(15)28-4)18(26)30-7-6-24-10-21-16-14(24)17(25)23(3)19(27)22(16)2/h8-10H,5-7H2,1-4H3