4-[5-(methoxymethyl)-2-phenylazanyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[5-(methoxymethyl)-2-phenylazanyl-pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-anilino-5-(methoxymethyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-anilino-5-(methoxymethyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-anilino-5-(methoxymethyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-anilino-5-(methoxymethyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

COCC1=CN=C(N=C1C2=CNC(=C2)C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3/c1-24-10-12-9-19-17(20-13-5-3-2-4-6-13)21-15(12)11-7-14(16(22)23)18-8-11/h2-9,18H,10H2,1H3,(H,22,23)(H,19,20,21)