2-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-6-[3-(4-methylpiperazin-1-yl)propoxy]phenol

Systemtic Name: 2-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]-6-[3-(4-methylpiperazin-1-yl)propoxy]phenol Openeye Name: 2-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-6-[3-(4-methylpiperazin-1-yl)propoxy]phenol CAS Name: 2-[(4-anilino-5-bromo-2-pyrimidinyl)amino]-6-[3-(4-methyl-1-piperazinyl)propoxy]phenol IUPAC Name: 2-[(4-anilino-5-bromopyrimidin-2-yl)amino]-6-[3-(4-methylpiperazin-1-yl)propoxy]phenol Traditional Name: 2-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]-6-[3-(4-methylpiperazino)propoxy]phenol Formula: C24H29BrN6O2 MolecularWeight: 513.43006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=CC=CC(=C2O)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

Isomeric SMILES

CN1CCN(CC1)CCCOC2=CC=CC(=C2O)NC3=NC=C(C(=N3)NC4=CC=CC=C4)Br

InChI

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