3-[(3-benzamido-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(3-benzamido-4-oxidanylidene-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3-benzamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[(3-benzamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-6-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(3-benzamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 3-[(3-benzamido-4-keto-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl)amino]-4-keto-butyric acid Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC=C(C(=O)N2C1C(=O)NC(CC(=O)O)C=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2=NC=C(C(=O)N2C1C(=O)NC(CC(=O)O)C=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O6/c24-10-12(8-16(25)26)21-18(28)14-6-7-15-20-9-13(19(29)23(14)15)22-17(27)11-4-2-1-3-5-11/h1-5,9-10,12,14H,6-8H2,(H,21,28)(H,22,27)(H,25,26)