N-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine

Systemtic Name: N-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine Openeye Name: N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine CAS Name: N-[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]-4-(1H-indol-3-yl)-2-pyrimidinamine IUPAC Name: N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine Traditional Name: [3-fluoro-4-(4-methylpiperazino)phenyl]-[4-(1H-indol-3-yl)pyrimidin-2-yl]amine Formula: C23H23FN6 MolecularWeight: 402.467323

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=CNC5=CC=CC=C54)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=CNC5=CC=CC=C54)F

InChI

InChI=1S/C23H23FN6/c1-29-10-12-30(13-11-29)22-7-6-16(14-19(22)24)27-23-25-9-8-21(28-23)18-15-26-20-5-3-2-4-17(18)20/h2-9,14-15,26H,10-13H2,1H3,(H,25,27,28)