N2-[1,1-bis(oxidanylidene)-2,3-dihydro-1,2-benzothiazol-6-yl]-5-fluoranyl-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[1,1-bis(oxidanylidene)-2,3-dihydro-1,2-benzothiazol-6-yl]-5-fluoranyl-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)pyrimidine-2,4-diamine Openeye Name: N2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)pyrimidine-2,4-diamine CAS Name: N2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-4-N-(1H-indazol-4-yl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine Traditional Name: [2-[(1,1-diketo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-5-fluoro-pyrimidin-4-yl]-(1H-indazol-4-yl)-(3-methoxypropyl)amine Formula: C22H22FN7O3S MolecularWeight: 483.518583

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(C1=CC=CC2=C1C=NN2)C3=NC(=NC=C3F)NC4=CC5=C(CNS5(=O)=O)C=C4

Isomeric SMILES

COCCCN(C1=CC=CC2=C1C=NN2)C3=NC(=NC=C3F)NC4=CC5=C(CNS5(=O)=O)C=C4

InChI

InChI=1S/C22H22FN7O3S/c1-33-9-3-8-30(19-5-2-4-18-16(19)12-25-29-18)21-17(23)13-24-22(28-21)27-15-7-6-14-11-26-34(31,32)20(14)10-15/h2,4-7,10,12-13,26H,3,8-9,11H2,1H3,(H,25,29)(H,24,27,28)