N-[3-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[3-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-thieno[3,2-d]pyrimidinyl]prop-2-ynyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[3-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[3-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]-1-methyl-pyrrole-2-carboxamide Formula: C28H21ClFN5O2S MolecularWeight: 546.015043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NCC#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

Isomeric SMILES

CN1C=CC=C1C(=O)NCC#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

InChI

InChI=1S/C28H21ClFN5O2S/c1-35-12-4-8-24(35)28(36)31-11-3-7-21-15-23-26(38-21)27(33-17-32-23)34-20-9-10-25(22(29)14-20)37-16-18-5-2-6-19(30)13-18/h2,4-6,8-10,12-15,17H,11,16H2,1H3,(H,31,36)(H,32,33,34)