7-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 7-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 7-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 7-[[5-fluoro-4-(4-prop-2-ynoxyanilino)-2-pyrimidinyl]amino]-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 7-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 7-[[5-fluoro-4-(4-propargyloxyanilino)pyrimidin-2-yl]amino]-3,4-dihydroisocarbostyril Formula: C22H18FN5O2 MolecularWeight: 403.409023

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(CCNC4=O)C=C3

Isomeric SMILES

C#CCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(CCNC4=O)C=C3

InChI

InChI=1S/C22H18FN5O2/c1-2-11-30-17-7-5-15(6-8-17)26-20-19(23)13-25-22(28-20)27-16-4-3-14-9-10-24-21(29)18(14)12-16/h1,3-8,12-13H,9-11H2,(H,24,29)(H2,25,26,27,28)