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

Systemtic Name: tert-butyl 4-oxidanylidene-2-(2-phenylazanylpyrimidin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-anilinopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-anilino-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-anilinopyrimidin-4-yl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-anilinopyrimidin-4-yl)-4-keto-6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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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)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-22(2,3)30-21(29)27-12-10-16-15(19(27)28)13-18(25-16)17-9-11-23-20(26-17)24-14-7-5-4-6-8-14/h4-9,11,13,25H,10,12H2,1-3H3,(H,23,24,26)