tert-butyl 3,5-dimethyl-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,5-dimethyl-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3,5-dimethyl-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-(methylamino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-dimethyl-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[2-(methylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C2=NC(=NC=C2)NC)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C2=NC(=NC=C2)NC)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N4O2/c1-9-12(11-7-8-18-15(17-6)20-11)10(2)19-13(9)14(21)22-16(3,4)5/h7-8,19H,1-6H3,(H,17,18,20)