1-[4-[[6-[[2,5-bis(chloranyl)phenyl]-(phenylmethyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol

Systemtic Name: 1-[4-[[6-[[2,5-bis(chloranyl)phenyl]-(phenylmethyl)amino]pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Openeye Name: 1-[4-[[6-(N-benzyl-2,5-dichloro-anilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[6-(2,5-dichloro-N-(phenylmethyl)anilino)-4-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[6-(N-benzyl-2,5-dichloroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[[6-(N-benzyl-2,5-dichloro-anilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C28H29Cl2N5O2 MolecularWeight: 538.46816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=CC(=NC=N2)N(CC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=CC(=NC=N2)N(CC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl)O

InChI

InChI=1S/C28H29Cl2N5O2/c1-34(2)17-23(36)18-37-24-11-9-22(10-12-24)33-27-15-28(32-19-31-27)35(16-20-6-4-3-5-7-20)26-14-21(29)8-13-25(26)30/h3-15,19,23,36H,16-18H2,1-2H3,(H,31,32,33)