1-(5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(5,6-dimethyl-7-phenyl-4-pyrrolo[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(5,6-dimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)isonipecotic acid Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)N3CCC(CC3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)N3CCC(CC3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H22N4O2/c1-13-14(2)24(16-6-4-3-5-7-16)19-17(13)18(21-12-22-19)23-10-8-15(9-11-23)20(25)26/h3-7,12,15H,8-11H2,1-2H3,(H,25,26)