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

Systemtic Name: 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Openeye Name: 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid CAS Name: 1-(2,5,6-trimethyl-7-phenyl-4-pyrrolo[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2,5,6-trimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Traditional Name: 1-(2,5,6-trimethyl-7-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl)nipecotic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C)N3CCCC(C3)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C)N3CCCC(C3)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4O2/c1-13-14(2)25(17-9-5-4-6-10-17)20-18(13)19(22-15(3)23-20)24-11-7-8-16(12-24)21(26)27/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,26,27)