2-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methyl-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methyl-3-oxidanylidene-butanoic acid Openeye Name: 2-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methyl-3-oxo-butanoic acid CAS Name: 2-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methyl-3-oxobutanoic acid IUPAC Name: 2-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-methyl-3-oxobutanoic acid Traditional Name: 2-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3-keto-2-methyl-butyric acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)C(C)(C1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H23N3O3/c1-12(25)21(5,19(26)27)15-16(24-18-17(15)22-10-11-23-18)13-6-8-14(9-7-13)20(2,3)4/h6-11H,1-5H3,(H,23,24)(H,26,27)