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

Systemtic Name: tert-butyl 2-(2-azanyl-5-bromanyl-pyrimidin-4-yl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-amino-5-bromo-pyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-5-bromo-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-amino-5-bromopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-amino-5-bromo-pyrimidin-4-yl)-4-keto-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C16H18BrN5O3 MolecularWeight: 408.24982

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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=C3Br)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=NC(=NC=C3Br)N

InChI

InChI=1S/C16H18BrN5O3/c1-16(2,3)25-15(24)22-5-4-10-8(13(22)23)6-11(20-10)12-9(17)7-19-14(18)21-12/h6-7,20H,4-5H2,1-3H3,(H2,18,19,21)