ethyl 5-(2-azanylpyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(2-azanylpyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-aminopyrimidin-4-yl)-2-[(tert-butoxycarbonylamino)methyl]-1H-pyrrole-3-carboxylate CAS Name: 5-(2-amino-4-pyrimidinyl)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-aminopyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-[(tert-butoxycarbonylamino)methyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=NC(=NC=C2)N)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=NC(=NC=C2)N)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23N5O4/c1-5-25-14(23)10-8-12(11-6-7-19-15(18)22-11)21-13(10)9-20-16(24)26-17(2,3)4/h6-8,21H,5,9H2,1-4H3,(H,20,24)(H2,18,19,22)