quinolin-8-ylmethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: quinolin-8-ylmethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: 8-quinolylmethyl 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 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 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 8-quinolylmethyl ester Formula: C19H17N5O3 MolecularWeight: 363.36998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C19H17N5O3/c1-23-18-15(10-22-23)19(26)24(12-21-18)9-7-16(25)27-11-14-5-2-4-13-6-3-8-20-17(13)14/h2-6,8,10,12H,7,9,11H2,1H3