2-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-5-[3-(4-methylpiperazin-1-yl)propoxy]phenol

Systemtic Name: 2-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-5-[3-(4-methylpiperazin-1-yl)propoxy]phenol Openeye Name: 2-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-5-[3-(4-methylpiperazin-1-yl)propoxy]phenol CAS Name: 2-[(4-anilino-5-bromo-2-pyrimidinyl)amino]-5-[3-(4-methyl-1-piperazinyl)propoxy]phenol IUPAC Name: 2-[(4-anilino-5-bromopyrimidin-2-yl)amino]-5-[3-(4-methylpiperazin-1-yl)propoxy]phenol Traditional Name: 2-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-5-[3-(4-methylpiperazino)propoxy]phenol Formula: C24H29BrN6O2 MolecularWeight: 513.43006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br)O

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br)O

InChI

InChI=1S/C24H29BrN6O2/c1-30-11-13-31(14-12-30)10-5-15-33-19-8-9-21(22(32)16-19)28-24-26-17-20(25)23(29-24)27-18-6-3-2-4-7-18/h2-4,6-9,16-17,32H,5,10-15H2,1H3,(H2,26,27,28,29)