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

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-4-oxidanylidene-1-propyl-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-4-oxo-1-propyl-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-4-oxo-1-propyl-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-4-oxo-1-propyl-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-4-keto-1-propyl-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N5O3/c1-5-9-23-14-7-10-24(18(26)27-19(2,3)4)16(25)12(14)11-15(23)13-6-8-21-17(20)22-13/h6,8,11H,5,7,9-10H2,1-4H3,(H2,20,21,22)