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

Systemtic Name: 3-[4-azanyl-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid Openeye Name: 3-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid CAS Name: 3-[4-amino-5-(4-hydroxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid Traditional Name: 3-[4-amino-5-(4-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3/c18-15-14-13(10-1-3-12(23)4-2-10)8-22(16(14)20-9-19-15)11-5-6-21(7-11)17(24)25/h1-4,8-9,11,23H,5-7H2,(H,24,25)(H2,18,19,20)