tozasertib

CAS: 639089-54-6

Formula: C23H28N8OS

SMILES: CN1CCN(CC1)C1=CC(NC2=NNC(C)=C2)=NC(SC2=CC=C(NC(=O)C3CC3)C=C2)=N1

IUPAC: N-[4-({4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl}sulfanyl)phenyl]cyclopropanecarboxamide

InChI: InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)

Composition: C (59.46%), H (6.08%), N (24.12%), O (3.44%), S (6.90%)

Molar Mass: 464.59

Atom Count: 61

Heavy Atom Count: 33