2-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-5-[3-(dimethylamino)propoxy]phenol

Systemtic Name: 2-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-5-[3-(dimethylamino)propoxy]phenol Openeye Name: 2-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-5-[3-(dimethylamino)propoxy]phenol CAS Name: 2-[(4-anilino-5-bromo-2-pyrimidinyl)amino]-5-[3-(dimethylamino)propoxy]phenol IUPAC Name: 2-[(4-anilino-5-bromopyrimidin-2-yl)amino]-5-[3-(dimethylamino)propoxy]phenol Traditional Name: 2-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-5-[3-(dimethylamino)propoxy]phenol Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br)O

Isomeric SMILES

CN(C)CCCOC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br)O

InChI

InChI=1S/C21H24BrN5O2/c1-27(2)11-6-12-29-16-9-10-18(19(28)13-16)25-21-23-14-17(22)20(26-21)24-15-7-4-3-5-8-15/h3-5,7-10,13-14,28H,6,11-12H2,1-2H3,(H2,23,24,25,26)