2-[4-[[[6-(2-chlorophenyl)-7-oxidanylidene-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]methyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[[6-(2-chlorophenyl)-7-oxidanylidene-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]methyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[[6-(2-chlorophenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]methyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[[[6-(2-chlorophenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[[6-(2-chlorophenyl)-7-oxo-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]methyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[[6-(2-chlorophenyl)-7-keto-5,8-dihydropyrimido[4,5-d]pyrimidin-2-yl]amino]methyl]piperidino]acetic acid Formula: C20H23ClN6O3 MolecularWeight: 430.88802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=C3CN(C(=O)NC3=N2)C4=CC=CC=C4Cl)CC(=O)O

Isomeric SMILES

C1CN(CCC1CNC2=NC=C3CN(C(=O)NC3=N2)C4=CC=CC=C4Cl)CC(=O)O

InChI

InChI=1S/C20H23ClN6O3/c21-15-3-1-2-4-16(15)27-11-14-10-23-19(24-18(14)25-20(27)30)22-9-13-5-7-26(8-6-13)12-17(28)29/h1-4,10,13H,5-9,11-12H2,(H,28,29)(H2,22,23,24,25,30)