2-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-azanyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]amino]-2-keto-acetic acid Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)NC(=O)C(=O)O

InChI

InChI=1S/C16H18N4O6/c1-24-10-5-8(6-11(25-2)12(10)26-3)4-9-7-18-16(19-13(9)17)20-14(21)15(22)23/h5-7H,4H2,1-3H3,(H,22,23)(H3,17,18,19,20,21)