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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C16H16ClN5O3 MolecularWeight: 361.78294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O3/c1-21-15-11(8-19-21)16(24)22(9-18-15)6-5-14(23)20-10-3-4-13(25-2)12(17)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,20,23)