3-[[5-bromanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenol

Systemtic Name: 3-[[5-bromanyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenol Openeye Name: 3-[[5-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenol CAS Name: 3-[[5-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-pyrimidinyl]amino]phenol IUPAC Name: 3-[[5-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenol Traditional Name: 3-[[5-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenol Formula: C18H15BrN4O3 MolecularWeight: 415.2407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)O)Br

InChI

InChI=1S/C18H15BrN4O3/c19-14-10-20-18(23-17(14)21-11-2-1-3-13(24)8-11)22-12-4-5-15-16(9-12)26-7-6-25-15/h1-5,8-10,24H,6-7H2,(H2,20,21,22,23)