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

Systemtic Name: tert-butyl 2-(2-acetamidopyrimidin-4-yl)-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-acetamidopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-acetamido-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-acetamidopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-acetamidopyrimidin-4-yl)-4-keto-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=N1)C2=CC3=C(N2)CCN(C3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC=CC(=N1)C2=CC3=C(N2)CCN(C3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21N5O4/c1-10(24)20-16-19-7-5-13(22-16)14-9-11-12(21-14)6-8-23(15(11)25)17(26)27-18(2,3)4/h5,7,9,21H,6,8H2,1-4H3,(H,19,20,22,24)