3-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-3-(4-fluorophenyl)propan-1-ol

Systemtic Name: 3-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-3-(4-fluorophenyl)propan-1-ol Openeye Name: 3-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-3-(4-fluorophenyl)propan-1-ol CAS Name: 3-[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]-3-(4-fluorophenyl)-1-propanol IUPAC Name: 3-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]-3-(4-fluorophenyl)propan-1-ol Traditional Name: 3-[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]-3-(4-fluorophenyl)propan-1-ol Formula: C23H28ClFN8O MolecularWeight: 486.972823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClFN8O/c24-19-21(27-17(7-14-34)15-3-5-16(25)6-4-15)29-20-18(28-19)22(32-10-1-2-11-32)31-23(30-20)33-12-8-26-9-13-33/h3-6,17,26,34H,1-2,7-14H2,(H,27,29,30,31)