1-[2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]-4-phenylazanyl-pyrimidin-5-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]-4-phenylazanyl-pyrimidin-5-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-5-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]-5-pyrimidinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-5-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-5-yl]-4-phenyl-butan-1-one Formula: C31H35N5O3 MolecularWeight: 525.6413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)C(=O)CCCC4=CC=CC=C4)O

InChI

InChI=1S/C31H35N5O3/c1-36(2)21-26(37)22-39-27-18-16-25(17-19-27)34-31-32-20-28(30(35-31)33-24-13-7-4-8-14-24)29(38)15-9-12-23-10-5-3-6-11-23/h3-8,10-11,13-14,16-20,26,37H,9,12,15,21-22H2,1-2H3,(H2,32,33,34,35)