1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one

Systemtic Name: 1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one Openeye Name: 1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one CAS Name: 1-[3-[[6-(4-phenoxyanilino)-4-pyrimidinyl]amino]-1-pyrrolidinyl]-2-propen-1-one IUPAC Name: 1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one Traditional Name: 1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]pyrrolidino]prop-2-en-1-one Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CCC(C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C=CC(=O)N1CCC(C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O2/c1-2-23(29)28-13-12-18(15-28)27-22-14-21(24-16-25-22)26-17-8-10-20(11-9-17)30-19-6-4-3-5-7-19/h2-11,14,16,18H,1,12-13,15H2,(H2,24,25,26,27)