4-[2-(2-azanyl-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-azanyl-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2-amino-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid CAS Name: 4-[2-(2-amino-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(2-amino-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2-amino-4-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(NC2=NC(=N1)N)C)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=C2C(=C(NC2=NC(=N1)N)C)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H20N4O2/c1-3-14-15-13(10(2)20-16(15)22-18(19)21-14)9-6-11-4-7-12(8-5-11)17(23)24/h4-5,7-8H,3,6,9H2,1-2H3,(H,23,24)(H3,19,20,21,22)