4-oxidanylidene-3-(phenylmethoxycarbonylamino)-6-(phenylmethyl)-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(phenylmethoxycarbonylamino)-6-(phenylmethyl)-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid Openeye Name: 6-benzyl-3-(benzyloxycarbonylamino)-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid CAS Name: 4-oxo-3-(phenylmethoxycarbonylamino)-6-(phenylmethyl)-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid IUPAC Name: 6-benzyl-4-oxo-3-(phenylmethoxycarbonylamino)-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid Traditional Name: 6-benzyl-3-(benzyloxycarbonylamino)-4-keto-7,8-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C1=NC=C(C2=O)NC(=O)OCC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N2C1=NC=C(C2=O)NC(=O)OCC3=CC=CC=C3)(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H21N3O5/c27-20-18(25-22(30)31-15-17-9-5-2-6-10-17)14-24-19-11-12-23(21(28)29,26(19)20)13-16-7-3-1-4-8-16/h1-10,14H,11-13,15H2,(H,25,30)(H,28,29)