6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine Openeye Name: N-[4-benzyloxy-3-(trifluoromethyl)phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]pyrido[3,4-d]pyrimidin-4-amine CAS Name: 6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]-4-pyrido[3,4-d]pyrimidinamine IUPAC Name: 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine Traditional Name: [5-[4-[4-benzoxy-3-(trifluoromethyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine Formula: C29H26F3N5O4S MolecularWeight: 597.60805

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(O1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C29H26F3N5O4S/c1-42(38,39)12-11-33-15-21-8-10-27(41-21)24-14-22-25(16-34-24)35-18-36-28(22)37-20-7-9-26(23(13-20)29(30,31)32)40-17-19-5-3-2-4-6-19/h2-10,13-14,16,18,33H,11-12,15,17H2,1H3,(H,35,36,37)