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

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-1-(2-hydroxyethyl)-4-oxidanylidene-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-1-(2-hydroxyethyl)-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-hydroxyethyl)-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-1-(2-hydroxyethyl)-4-keto-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2CCO)C3=NC(=NC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2CCO)C3=NC(=NC=C3)N

InChI

InChI=1S/C18H23N5O4/c1-18(2,3)27-17(26)23-7-5-13-11(15(23)25)10-14(22(13)8-9-24)12-4-6-20-16(19)21-12/h4,6,10,24H,5,7-9H2,1-3H3,(H2,19,20,21)