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

Systemtic Name: tert-butyl 2-[2-(2-methylpropanoylamino)pyrimidin-4-yl]-4-oxidanylidene-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-[2-(2-methylpropanoylamino)pyrimidin-4-yl]-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-[2-[(2-methyl-1-oxopropyl)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-(2-methylpropanoylamino)pyrimidin-4-yl]-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-[2-(isobutyrylamino)pyrimidin-4-yl]-4-keto-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-11(2)16(26)24-18-21-8-6-14(23-18)15-10-12-13(22-15)7-9-25(17(12)27)19(28)29-20(3,4)5/h6,8,10-11,22H,7,9H2,1-5H3,(H,21,23,24,26)