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

Systemtic Name: tert-butyl 4-oxidanylidene-2-pyrimidin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 4-oxo-2-pyrimidin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 4-oxo-2-(4-pyrimidinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-2-pyrimidin-4-yl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 4-keto-2-(4-pyrimidyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c1-16(2,3)23-15(22)20-7-5-11-10(14(20)21)8-13(19-11)12-4-6-17-9-18-12/h4,6,8-9,19H,5,7H2,1-3H3