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

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-ethyl-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-ethyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-1-ethyl-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-ethyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-1-ethyl-4-keto-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C1C3=NC(=NC=C3)N)C(=O)N(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N5O3/c1-5-22-13-7-9-23(17(25)26-18(2,3)4)15(24)11(13)10-14(22)12-6-8-20-16(19)21-12/h6,8,10H,5,7,9H2,1-4H3,(H2,19,20,21)