N-[3-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-4-(dimethylamino)butanamide

Systemtic Name: N-[3-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-4-(dimethylamino)butanamide Openeye Name: N-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-4-(dimethylamino)butanamide CAS Name: N-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-thieno[3,2-d]pyrimidinyl]prop-2-ynyl]-4-(dimethylamino)butanamide IUPAC Name: N-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-4-(dimethylamino)butanamide Traditional Name: N-[3-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-4-(dimethylamino)butyramide Formula: C28H27ClFN5O2S MolecularWeight: 552.062683

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)NCC#CC1=CC2=C(S1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

Isomeric SMILES

CN(C)CCCC(=O)NCC#CC1=CC2=C(S1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl

InChI

InChI=1S/C28H27ClFN5O2S/c1-35(2)13-5-9-26(36)31-12-4-8-22-16-24-27(38-22)28(33-18-32-24)34-21-10-11-25(23(29)15-21)37-17-19-6-3-7-20(30)14-19/h3,6-7,10-11,14-16,18H,5,9,12-13,17H2,1-2H3,(H,31,36)(H,32,33,34)