3-[[2,5-bis(chloranyl)phenyl]-[6-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[2,5-bis(chloranyl)phenyl]-[6-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-(2,5-dichloro-N-[6-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-4-yl]anilino)propanenitrile CAS Name: 3-(2,5-dichloro-N-[6-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]-4-pyrimidinyl]anilino)propanenitrile IUPAC Name: 3-(2,5-dichloro-N-[6-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-4-yl]anilino)propanenitrile Traditional Name: 3-(2,5-dichloro-N-[6-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-4-yl]anilino)propionitrile Formula: C24H26Cl2N6O2 MolecularWeight: 501.40824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=CC(=NC=N2)N(CCC#N)C3=C(C=CC(=C3)Cl)Cl)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=CC(=NC=N2)N(CCC#N)C3=C(C=CC(=C3)Cl)Cl)O

InChI

InChI=1S/C24H26Cl2N6O2/c1-31(2)14-19(33)15-34-20-7-5-18(6-8-20)30-23-13-24(29-16-28-23)32(11-3-10-27)22-12-17(25)4-9-21(22)26/h4-9,12-13,16,19,33H,3,11,14-15H2,1-2H3,(H,28,29,30)