N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-[(phenylmethyl)amino]prop-1-ynyl]thieno[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-[(phenylmethyl)amino]prop-1-ynyl]thieno[3,2-d]pyrimidin-4-amine Openeye Name: 6-[3-(benzylamino)prop-1-ynyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]thieno[3,2-d]pyrimidin-4-amine CAS Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[3-[(phenylmethyl)amino]prop-1-ynyl]-4-thieno[3,2-d]pyrimidinamine IUPAC Name: 6-[3-(benzylamino)prop-1-ynyl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]thieno[3,2-d]pyrimidin-4-amine Traditional Name: benzyl-[3-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]thieno[3,2-d]pyrimidin-6-yl]prop-2-ynyl]amine Formula: C29H22ClFN4OS MolecularWeight: 529.027583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCC#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

InChI

InChI=1S/C29H22ClFN4OS/c30-25-15-23(11-12-27(25)36-18-21-8-4-9-22(31)14-21)35-29-28-26(33-19-34-29)16-24(37-28)10-5-13-32-17-20-6-2-1-3-7-20/h1-4,6-9,11-12,14-16,19,32H,13,17-18H2,(H,33,34,35)