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

Systemtic Name: (2S)-1-[4-[4-[(2,4-dichlorophenyl)methylamino]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]phenyl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-[4-[(2,4-dichlorophenyl)methylamino]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[4-[4-[(2,4-dichlorophenyl)methylamino]-5-methyl-2-pyrrolo[3,2-d]pyrimidinyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-[4-[(2,4-dichlorophenyl)methylamino]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-[4-[(2,4-dichlorobenzyl)amino]-5-methyl-pyrrolo[3,2-d]pyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide Formula: C26H24Cl2N6O2 MolecularWeight: 523.41376

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=NC(=N2)C3=CC=C(C=C3)C(=O)N4CCCC4C(=O)N)NCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C=CC2=C1C(=NC(=N2)C3=CC=C(C=C3)C(=O)N4CCC[C@H]4C(=O)N)NCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H24Cl2N6O2/c1-33-12-10-20-22(33)25(30-14-17-8-9-18(27)13-19(17)28)32-24(31-20)15-4-6-16(7-5-15)26(36)34-11-2-3-21(34)23(29)35/h4-10,12-13,21H,2-3,11,14H2,1H3,(H2,29,35)(H,30,31,32)/t21-/m0/s1