2-(1-azanyl-2-phenylmethoxy-ethyl)-5-(2-azanylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 2-(1-azanyl-2-phenylmethoxy-ethyl)-5-(2-azanylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 2-(1-amino-2-benzyloxy-ethyl)-5-(2-aminopyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid CAS Name: 2-(1-amino-2-phenylmethoxyethyl)-5-(2-amino-4-pyrimidinyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 2-(1-amino-2-phenylmethoxyethyl)-5-(2-aminopyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 2-(1-amino-2-benzoxy-ethyl)-5-(2-aminopyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)O)N

InChI

InChI=1S/C18H19N5O3/c19-13(10-26-9-11-4-2-1-3-5-11)16-12(17(24)25)8-15(22-16)14-6-7-21-18(20)23-14/h1-8,13,22H,9-10,19H2,(H,24,25)(H2,20,21,23)