5-fluoranyl-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)-N2-(3-methylbenzotriazol-5-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-fluoranyl-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)-N2-(3-methylbenzotriazol-5-yl)pyrimidine-2,4-diamine Openeye Name: 5-fluoro-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)-N2-(3-methylbenzotriazol-5-yl)pyrimidine-2,4-diamine CAS Name: 5-fluoro-N4-(1H-indazol-4-yl)-N4-(3-methoxypropyl)-N2-(3-methyl-5-benzotriazolyl)pyrimidine-2,4-diamine IUPAC Name: 5-fluoro-4-N-(1H-indazol-4-yl)-4-N-(3-methoxypropyl)-2-N-(3-methylbenzotriazol-5-yl)pyrimidine-2,4-diamine Traditional Name: [5-fluoro-2-[(3-methylbenzotriazol-5-yl)amino]pyrimidin-4-yl]-(1H-indazol-4-yl)-(3-methoxypropyl)amine Formula: C22H22FN9O MolecularWeight: 447.468183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC3=NC=C(C(=N3)N(CCCOC)C4=CC=CC5=C4C=NN5)F)N=N1

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC3=NC=C(C(=N3)N(CCCOC)C4=CC=CC5=C4C=NN5)F)N=N1

InChI

InChI=1S/C22H22FN9O/c1-31-20-11-14(7-8-18(20)29-30-31)26-22-24-13-16(23)21(27-22)32(9-4-10-33-2)19-6-3-5-17-15(19)12-25-28-17/h3,5-8,11-13H,4,9-10H2,1-2H3,(H,25,28)(H,24,26,27)