tert-butyl 2-(2-azanylpyrimidin-4-yl)-4-oxidanylidene-1-(phenylmethyl)-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 2-(2-azanylpyrimidin-4-yl)-4-oxidanylidene-1-(phenylmethyl)-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-benzyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate CAS Name: 2-(2-amino-4-pyrimidinyl)-4-oxo-1-(phenylmethyl)-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-aminopyrimidin-4-yl)-1-benzyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylate Traditional Name: 2-(2-aminopyrimidin-4-yl)-1-benzyl-4-keto-6,7-dihydropyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2CC3=CC=CC=C3)C4=NC(=NC=C4)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1=O)C=C(N2CC3=CC=CC=C3)C4=NC(=NC=C4)N

InChI

InChI=1S/C23H25N5O3/c1-23(2,3)31-22(30)27-12-10-18-16(20(27)29)13-19(17-9-11-25-21(24)26-17)28(18)14-15-7-5-4-6-8-15/h4-9,11,13H,10,12,14H2,1-3H3,(H2,24,25,26)