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

Systemtic Name: 6-[[4-[1H-indazol-4-yl(3-oxidanylpropyl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one Openeye Name: 6-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one CAS Name: 6-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-1,4-dihydro-3,1-benzoxazin-2-one IUPAC Name: 6-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one Traditional Name: 6-[[4-[3-hydroxypropyl(1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]-1,4-dihydro-3,1-benzoxazin-2-one Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7O3/c30-10-2-9-29(19-4-1-3-18-16(19)12-24-28-18)20-7-8-23-21(27-20)25-15-5-6-17-14(11-15)13-32-22(31)26-17/h1,3-8,11-12,30H,2,9-10,13H2,(H,24,28)(H,26,31)(H,23,25,27)