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

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-butyl-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-butyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-1-butyl-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-butyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-1-butyl-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:

CCCCN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N5O3/c1-5-6-10-24-15-8-11-25(19(27)28-20(2,3)4)17(26)13(15)12-16(24)14-7-9-22-18(21)23-14/h7,9,12H,5-6,8,10-11H2,1-4H3,(H2,21,22,23)