1-[5-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]-2H-1,3-benzoxazol-3-yl]prop-2-en-1-one

Systemtic Name: 1-[5-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]-2H-1,3-benzoxazol-3-yl]prop-2-en-1-one Openeye Name: 1-[5-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-2H-1,3-benzoxazol-3-yl]prop-2-en-1-one CAS Name: 1-[5-[[6-(4-phenoxyanilino)-4-pyrimidinyl]amino]-2H-1,3-benzoxazol-3-yl]-2-propen-1-one IUPAC Name: 1-[5-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-2H-1,3-benzoxazol-3-yl]prop-2-en-1-one Traditional Name: 1-[5-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]-2H-1,3-benzoxazol-3-yl]prop-2-en-1-one Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1COC2=C1C=C(C=C2)NC3=NC=NC(=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C=CC(=O)N1COC2=C1C=C(C=C2)NC3=NC=NC(=C3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O3/c1-2-26(32)31-17-33-23-13-10-19(14-22(23)31)30-25-15-24(27-16-28-25)29-18-8-11-21(12-9-18)34-20-6-4-3-5-7-20/h2-16H,1,17H2,(H2,27,28,29,30)