(6-bromanylnaphthalen-2-yl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (6-bromo-2-naphthyl) 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (6-bromo-2-naphthyl) ester Formula: C19H15BrN4O3 MolecularWeight: 427.2514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C19H15BrN4O3/c1-23-18-16(10-22-23)19(26)24(11-21-18)7-6-17(25)27-15-5-3-12-8-14(20)4-2-13(12)9-15/h2-5,8-11H,6-7H2,1H3