6-[[4-[2-hydroxyethyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one

Systemtic Name: 6-[[4-[2-hydroxyethyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one Openeye Name: 6-[[4-[2-hydroxyethyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one CAS Name: 6-[[4-[2-hydroxyethyl(1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-1,4-dihydro-3,1-benzoxazin-2-one IUPAC Name: 6-[[4-[2-hydroxyethyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one Traditional Name: 6-[[4-[2-hydroxyethyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC3=NC=CC(=N3)N(CCO)C4=CC=CC5=C4C=NN5)NC(=O)O1

Isomeric SMILES

C1C2=C(C=CC(=C2)NC3=NC=CC(=N3)N(CCO)C4=CC=CC5=C4C=NN5)NC(=O)O1

InChI

InChI=1S/C21H19N7O3/c29-9-8-28(18-3-1-2-17-15(18)11-23-27-17)19-6-7-22-20(26-19)24-14-4-5-16-13(10-14)12-31-21(30)25-16/h1-7,10-11,29H,8-9,12H2,(H,23,27)(H,25,30)(H,22,24,26)