N-[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-methylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[3-bromanyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-methylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine Openeye Name: N-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-methylsulfonylethylamino)propyl]thiazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine CAS Name: N-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-methylsulfonylethylamino)propyl]-4-thiazolyl]-4-pyrido[3,4-d]pyrimidinamine IUPAC Name: N-[3-bromo-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[1-(2-methylsulfonylethylamino)propyl]-1,3-thiazol-4-yl]pyrido[3,4-d]pyrimidin-4-amine Traditional Name: 1-[4-[4-[3-bromo-4-(3-fluorobenzyl)oxy-anilino]pyrido[3,4-d]pyrimidin-6-yl]thiazol-2-yl]propyl-(2-mesylethyl)amine Formula: C29H28BrFN6O3S2 MolecularWeight: 671.603423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=CS1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Br)NCCS(=O)(=O)C

Isomeric SMILES

CCC(C1=NC(=CS1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Br)NCCS(=O)(=O)C

InChI

InChI=1S/C29H28BrFN6O3S2/c1-3-23(32-9-10-42(2,38)39)29-37-26(16-41-29)24-13-21-25(14-33-24)34-17-35-28(21)36-20-7-8-27(22(30)12-20)40-15-18-5-4-6-19(31)11-18/h4-8,11-14,16-17,23,32H,3,9-10,15H2,1-2H3,(H,34,35,36)