5-(2-azanylpyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxamide

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxamide Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxamide CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxamide IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxamide Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxamide Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)N)OC

InChI

InChI=1S/C17H17N5O3/c1-24-13-4-3-9(7-14(13)25-2)15-10(16(18)23)8-12(21-15)11-5-6-20-17(19)22-11/h3-8,21H,1-2H3,(H2,18,23)(H2,19,20,22)