(2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]-1-methyl-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]-1-methyl-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]-1-methyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[4-[7-[(2,4-dichlorophenyl)methylamino]-1-methyl-5-pyrazolo[4,3-d]pyrimidinyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-[7-[(2,4-dichlorophenyl)methylamino]-1-methylpyrazolo[4,3-d]pyrimidin-5-yl]benzoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-[7-[(2,4-dichlorobenzyl)amino]-1-methyl-pyrazolo[4,3-d]pyrimidin-5-yl]benzoyl]pyrrolidine-2-carboxamide Formula: C25H23Cl2N7O2 MolecularWeight: 524.40182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)N=C(N=C2NCC3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C(=O)N5CCCC5C(=O)N

Isomeric SMILES

CN1C2=C(C=N1)N=C(N=C2NCC3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C(=O)N5CCC[C@H]5C(=O)N

InChI

InChI=1S/C25H23Cl2N7O2/c1-33-21-19(13-30-33)31-23(32-24(21)29-12-16-8-9-17(26)11-18(16)27)14-4-6-15(7-5-14)25(36)34-10-2-3-20(34)22(28)35/h4-9,11,13,20H,2-3,10,12H2,1H3,(H2,28,35)(H,29,31,32)/t20-/m0/s1