ethyl 1-chloranyl-4-(4,6-dimethoxypyrimidin-2-yl)oxy-isoquinoline-3-carboxylate

Systemtic Name: ethyl 1-chloranyl-4-(4,6-dimethoxypyrimidin-2-yl)oxy-isoquinoline-3-carboxylate Openeye Name: ethyl 1-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxy-isoquinoline-3-carboxylate CAS Name: 1-chloro-4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxyisoquinoline-3-carboxylate Traditional Name: 1-chloro-4-(4,6-dimethoxypyrimidin-2-yl)oxy-isoquinoline-3-carboxylic acid ethyl ester Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)OC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)OC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C18H16ClN3O5/c1-4-26-17(23)14-15(10-7-5-6-8-11(10)16(19)22-14)27-18-20-12(24-2)9-13(21-18)25-3/h5-9H,4H2,1-3H3