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

Systemtic Name: 3-[4-azanyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid Openeye Name: 3-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid CAS Name: 3-[4-amino-5-(4-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid Traditional Name: 3-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCN(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCN(C4)C(=O)O

InChI

InChI=1S/C18H19N5O3/c1-26-13-4-2-11(3-5-13)14-9-23(12-6-7-22(8-12)18(24)25)17-15(14)16(19)20-10-21-17/h2-5,9-10,12H,6-8H2,1H3,(H,24,25)(H2,19,20,21)