ethyl 2-[(3Z)-4-azanyl-3-(5-oxidanylindol-2-ylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3Z)-4-azanyl-3-(5-oxidanylindol-2-ylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]ethanoate Openeye Name: ethyl 2-[(3Z)-4-amino-3-(5-hydroxyindol-2-ylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetate CAS Name: 2-[(3Z)-4-amino-3-(5-hydroxy-2-indolylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3Z)-4-amino-3-(5-hydroxyindol-2-ylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetate Traditional Name: 2-[(3Z)-4-amino-3-(5-hydroxyindol-2-ylidene)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]acetic acid ethyl ester Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=C3C=C4C=C(C=CC4=N3)O)N1)C(=NC=N2)N

Isomeric SMILES

CCOC(=O)CN1C2=C(/C(=C/3\C=C4C=C(C=CC4=N3)O)/N1)C(=NC=N2)N

InChI

InChI=1S/C17H16N6O3/c1-2-26-13(25)7-23-17-14(16(18)19-8-20-17)15(22-23)12-6-9-5-10(24)3-4-11(9)21-12/h3-6,8,22,24H,2,7H2,1H3,(H2,18,19,20)/b15-12-