1-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

Systemtic Name: 1-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Openeye Name: 1-(4-amino-8-fluoro-quinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one CAS Name: 1-(4-amino-8-fluoro-7-quinazolinyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one IUPAC Name: 1-(4-amino-8-fluoroquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Traditional Name: 1-(4-amino-8-fluoro-quinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=C(C4=C(C=C3)C(=NC=N4)N)F

Isomeric SMILES

CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=C(C4=C(C=C3)C(=NC=N4)N)F

InChI

InChI=1S/C18H18FN5O/c1-9-14-12(6-18(2,3)7-13(14)25)24(23-9)11-5-4-10-16(15(11)19)21-8-22-17(10)20/h4-5,8H,6-7H2,1-3H3,(H2,20,21,22)