[2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [2-[6-azanyl-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [2-(6-amino-1-methyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [2-(6-amino-1-methyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [2-(6-amino-2,4-diketo-1-methyl-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C16H16ClN3O7 MolecularWeight: 397.76714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C)N)Cl)O

InChI

InChI=1S/C16H16ClN3O7/c1-3-26-10-5-7(4-8(17)12(10)22)15(24)27-6-9(21)11-13(18)20(2)16(25)19-14(11)23/h4-5,22H,3,6,18H2,1-2H3,(H,19,23,25)