(2S)-2-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-2-(4-fluorophenyl)ethanol

Systemtic Name: (2S)-2-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-2-(4-fluorophenyl)ethanol Openeye Name: (2S)-2-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-2-(4-fluorophenyl)ethanol CAS Name: (2S)-2-[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]-2-(4-fluorophenyl)ethanol IUPAC Name: (2S)-2-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]-2-(4-fluorophenyl)ethanol Traditional Name: (2S)-2-[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]-2-(4-fluorophenyl)ethanol Formula: C22H26ClFN8O MolecularWeight: 472.946243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NC(CO)C4=CC=C(C=C4)F)Cl)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)N[C@H](CO)C4=CC=C(C=C4)F)Cl)N5CCNCC5

InChI

InChI=1S/C22H26ClFN8O/c23-18-20(26-16(13-33)14-3-5-15(24)6-4-14)28-19-17(27-18)21(31-9-1-2-10-31)30-22(29-19)32-11-7-25-8-12-32/h3-6,16,25,33H,1-2,7-13H2,(H,26,28,29,30)/t16-/m1/s1