1-(dimethylamino)-3-[4-[(5-methyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]propan-2-ol

Systemtic Name: 1-(dimethylamino)-3-[4-[(5-methyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenoxy]propan-2-ol Openeye Name: 1-[4-[(4-anilino-5-methyl-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[(4-anilino-5-methyl-2-pyrimidinyl)amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[(4-anilino-5-methylpyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[(4-anilino-5-methyl-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC=CC=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC=CC=C2)NC3=CC=C(C=C3)OCC(CN(C)C)O

InChI

InChI=1S/C22H27N5O2/c1-16-13-23-22(26-21(16)24-17-7-5-4-6-8-17)25-18-9-11-20(12-10-18)29-15-19(28)14-27(2)3/h4-13,19,28H,14-15H2,1-3H3,(H2,23,24,25,26)