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

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-4-keto-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=NC(=NC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=NC(=NC=C3)N

InChI

InChI=1S/C16H19N5O3/c1-16(2,3)24-15(23)21-7-5-10-9(13(21)22)8-12(19-10)11-4-6-18-14(17)20-11/h4,6,8,19H,5,7H2,1-3H3,(H2,17,18,20)