(2R)-2-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-2-phenyl-ethanoic acid

Systemtic Name: (2R)-2-[(6-chloranyl-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-2-phenyl-ethanoic acid Openeye Name: (2R)-2-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-7-yl)amino]-2-phenyl-acetic acid CAS Name: (2R)-2-[[6-chloro-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinyl]amino]-2-phenylacetic acid IUPAC Name: (2R)-2-[(6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-yl)amino]-2-phenylacetic acid Traditional Name: (2R)-2-[(6-chloro-2-piperazino-4-pyrrolidino-pteridin-7-yl)amino]-2-phenyl-acetic acid Formula: C22H25ClN8O2 MolecularWeight: 468.9393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN8O2/c23-17-19(26-15(21(32)33)14-6-2-1-3-7-14)27-18-16(25-17)20(30-10-4-5-11-30)29-22(28-18)31-12-8-24-9-13-31/h1-3,6-7,15,24H,4-5,8-13H2,(H,32,33)(H,26,27,28,29)/t15-/m1/s1