N-(2-chloranyl-4,5-dimethoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(2-chloranyl-4,5-dimethoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(2-chloro-4,5-dimethoxy-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(2-chloro-4,5-dimethoxyphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(2-chloro-4,5-dimethoxyphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(2-chloro-4,5-dimethoxy-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3Cl)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=C(C=C3Cl)OC)OC

InChI

InChI=1S/C17H18ClN5O4/c1-22-16-10(8-20-22)17(25)23(9-19-16)5-4-15(24)21-12-7-14(27-3)13(26-2)6-11(12)18/h6-9H,4-5H2,1-3H3,(H,21,24)