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

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O3/c1-26-20-16(12-24-26)21(29)27(13-23-20)10-9-19(28)25-17-11-14(22)7-8-18(17)30-15-5-3-2-4-6-15/h2-8,11-13H,9-10H2,1H3,(H,25,28)