4-[[2,4-bis(azanyl)-6-chloranyl-pyrimidin-5-yl]methyl]-2,6-dimethoxy-benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-6-chloranyl-pyrimidin-5-yl]methyl]-2,6-dimethoxy-benzoic acid Openeye Name: 4-[(2,4-diamino-6-chloro-pyrimidin-5-yl)methyl]-2,6-dimethoxy-benzoic acid CAS Name: 4-[(2,4-diamino-6-chloro-5-pyrimidinyl)methyl]-2,6-dimethoxybenzoic acid IUPAC Name: 4-[(2,4-diamino-6-chloropyrimidin-5-yl)methyl]-2,6-dimethoxybenzoic acid Traditional Name: 4-[(2,4-diamino-6-chloro-pyrimidin-5-yl)methyl]-2,6-dimethoxy-benzoic acid Formula: C14H15ClN4O4 MolecularWeight: 338.7463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C(=O)O)OC)CC2=C(N=C(N=C2Cl)N)N

Isomeric SMILES

COC1=CC(=CC(=C1C(=O)O)OC)CC2=C(N=C(N=C2Cl)N)N

InChI

InChI=1S/C14H15ClN4O4/c1-22-8-4-6(5-9(23-2)10(8)13(20)21)3-7-11(15)18-14(17)19-12(7)16/h4-5H,3H2,1-2H3,(H,20,21)(H4,16,17,18,19)