4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-azanyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-amino-5-(3,4-dimethoxyphenyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-amino-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N)OC

InChI

InChI=1S/C17H16N4O4/c1-24-13-4-3-9(6-14(13)25-2)11-8-20-17(18)21-15(11)10-5-12(16(22)23)19-7-10/h3-8,19H,1-2H3,(H,22,23)(H2,18,20,21)