tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-(2-methylpropyl)-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-(2-methylpropyl)-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-isobutyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-1-(2-methylpropyl)-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-(2-methylpropyl)-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-1-isobutyl-4-keto-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N5O3/c1-12(2)11-25-15-7-9-24(19(27)28-20(3,4)5)17(26)13(15)10-16(25)14-6-8-22-18(21)23-14/h6,8,10,12H,7,9,11H2,1-5H3,(H2,21,22,23)