3-[[6-(2-chlorophenyl)-7-oxidanylidene-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]butanoic acid

Systemtic Name: 3-[[6-(2-chlorophenyl)-7-oxidanylidene-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]butanoic acid Openeye Name: 3-[[6-(2-chlorophenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]butanoic acid CAS Name: 3-[[6-(2-chlorophenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]butanoic acid IUPAC Name: 3-[[6-(2-chlorophenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]butanoic acid Traditional Name: 3-[[6-(2-chlorophenyl)-7-keto-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]butyric acid Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=NC=C2CN(C(=O)NC2=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CC(CC(=O)O)NC1=NC=C2CN(C(=O)NC2=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C16H16ClN5O3/c1-9(6-13(23)24)19-15-18-7-10-8-22(16(25)21-14(10)20-15)12-5-3-2-4-11(12)17/h2-5,7,9H,6,8H2,1H3,(H,23,24)(H2,18,19,20,21,25)