1-[4-[[5-(methoxymethyl)-4-phenylazanyl-pyrimidin-2-yl]amino]phenoxy]butan-2-ol

Systemtic Name: 1-[4-[[5-(methoxymethyl)-4-phenylazanyl-pyrimidin-2-yl]amino]phenoxy]butan-2-ol Openeye Name: 1-[4-[[4-anilino-5-(methoxymethyl)pyrimidin-2-yl]amino]phenoxy]butan-2-ol CAS Name: 1-[4-[[4-anilino-5-(methoxymethyl)-2-pyrimidinyl]amino]phenoxy]-2-butanol IUPAC Name: 1-[4-[[4-anilino-5-(methoxymethyl)pyrimidin-2-yl]amino]phenoxy]butan-2-ol Traditional Name: 1-[4-[[4-anilino-5-(methoxymethyl)pyrimidin-2-yl]amino]phenoxy]butan-2-ol Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)COC)O

Isomeric SMILES

CCC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)COC)O

InChI

InChI=1S/C22H26N4O3/c1-3-19(27)15-29-20-11-9-18(10-12-20)25-22-23-13-16(14-28-2)21(26-22)24-17-7-5-4-6-8-17/h4-13,19,27H,3,14-15H2,1-2H3,(H2,23,24,25,26)