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

Systemtic Name: 1-(dimethylamino)-3-[4-[[5-(hydroxymethyl)-4-phenylazanyl-pyrimidin-2-yl]amino]phenoxy]propan-2-ol Openeye Name: 1-[4-[[4-anilino-5-(hydroxymethyl)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol CAS Name: 1-[4-[[4-anilino-5-(hydroxymethyl)-2-pyrimidinyl]amino]phenoxy]-3-(dimethylamino)-2-propanol IUPAC Name: 1-[4-[[4-anilino-5-(hydroxymethyl)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol Traditional Name: 1-[4-[(4-anilino-5-methylol-pyrimidin-2-yl)amino]phenoxy]-3-(dimethylamino)propan-2-ol Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-27(2)13-19(29)15-30-20-10-8-18(9-11-20)25-22-23-12-16(14-28)21(26-22)24-17-6-4-3-5-7-17/h3-12,19,28-29H,13-15H2,1-2H3,(H2,23,24,25,26)