2-(5-chloro-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)-N-cyclopropyl-1-benzothiophene-4-carboxamide trihydrochloride

CAS: 946518-60-1

Formula: C24H32Cl4N6OS

SMILES: Cl.Cl.Cl.CN1CCN(CCCNC2=NC=C(Cl)C(=N2)C2=CC3=C(C=CC=C3S2)C(=O)NC2CC2)CC1

IUPAC: 2-(5-chloro-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)-N-cyclopropyl-1-benzothiophene-4-carboxamide trihydrochloride

InChI: InChI=1S/C24H29ClN6OS.3ClH/c1-30-10-12-31(13-11-30)9-3-8-26-24-27-15-19(25)22(29-24)21-14-18-17(4-2-5-20(18)33-21)23(32)28-16-6-7-16;;;/h2,4-5,14-16H,3,6-13H2,1H3,(H,28,32)(H,26,27,29);3*1H

Composition: C (48.49%), H (5.43%), Cl (23.86%), N (14.14%), O (2.69%), S (5.39%)

Molar Mass: 594.42

Atom Count: 68

Heavy Atom Count: 36