4-[3-(4-azanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid

Systemtic Name: 4-[3-(4-azanyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid Openeye Name: 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid CAS Name: 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid IUPAC Name: 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid Traditional Name: 4-[3-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CN2)CCCC3=CC=C(C=C3)C(=O)O)C(=N1)N

Isomeric SMILES

CC1=NC2=C(C(=CN2)CCCC3=CC=C(C=C3)C(=O)O)C(=N1)N

InChI

InChI=1S/C17H18N4O2/c1-10-20-15(18)14-13(9-19-16(14)21-10)4-2-3-11-5-7-12(8-6-11)17(22)23/h5-9H,2-4H2,1H3,(H,22,23)(H3,18,19,20,21)