3-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid

Systemtic Name: 3-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid Openeye Name: 3-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid CAS Name: 3-(4-amino-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl)-1-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid Traditional Name: 3-(4-amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C=C(C3=C2N=CN=C3N)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CC1N2C=C(C3=C2N=CN=C3N)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C17H17N5O2/c18-15-14-13(11-4-2-1-3-5-11)9-22(16(14)20-10-19-15)12-6-7-21(8-12)17(23)24/h1-5,9-10,12H,6-8H2,(H,23,24)(H2,18,19,20)