[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H18N6O2 MolecularWeight: 290.32102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC2=NC(=NC(=N2)N)N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC2=NC(=NC(=N2)N)N)C

InChI

InChI=1S/C13H18N6O2/c1-4-19-7(2)5-9(8(19)3)11(20)21-6-10-16-12(14)18-13(15)17-10/h5H,4,6H2,1-3H3,(H4,14,15,16,17,18)