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

Systemtic Name: 7-[[5-fluoranyl-4-[(4-prop-2-ynoxyphenyl)amino]pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Openeye Name: 7-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-sulfonamide CAS Name: 7-[[5-fluoro-4-(4-prop-2-ynoxyanilino)-2-pyrimidinyl]amino]-3,4-dihydro-1H-isoquinoline-2-sulfonamide IUPAC Name: 7-[[5-fluoro-4-(4-prop-2-ynoxyanilino)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Traditional Name: 7-[[5-fluoro-4-(4-propargyloxyanilino)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-sulfonamide Formula: C22H21FN6O3S MolecularWeight: 468.503943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(CCN(C4)S(=O)(=O)N)C=C3

Isomeric SMILES

C#CCOC1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC4=C(CCN(C4)S(=O)(=O)N)C=C3

InChI

InChI=1S/C22H21FN6O3S/c1-2-11-32-19-7-5-17(6-8-19)26-21-20(23)13-25-22(28-21)27-18-4-3-15-9-10-29(33(24,30)31)14-16(15)12-18/h1,3-8,12-13H,9-11,14H2,(H2,24,30,31)(H2,25,26,27,28)