N-(4-chloranyl-6-ethoxy-pyrimidin-2-yl)-N-phenyl-carbamate; [4-(dimethylamino)-6-ethoxy-pyrimidin-2-yl]-phenyl-carbamic acid

Systemtic Name: N-(4-chloranyl-6-ethoxy-pyrimidin-2-yl)-N-phenyl-carbamate; [4-(dimethylamino)-6-ethoxy-pyrimidin-2-yl]-phenyl-carbamic acid Openeye Name: N-(4-chloro-6-ethoxy-pyrimidin-2-yl)-N-phenyl-carbamate; [4-(dimethylamino)-6-ethoxy-pyrimidin-2-yl]-phenyl-carbamic acid CAS Name: N-(4-chloro-6-ethoxy-2-pyrimidinyl)-N-phenylcarbamate; [4-(dimethylamino)-6-ethoxy-2-pyrimidinyl]-phenylcarbamic acid IUPAC Name: N-(4-chloro-6-ethoxypyrimidin-2-yl)-N-phenylcarbamate; [4-(dimethylamino)-6-ethoxypyrimidin-2-yl]-phenylcarbamic acid Traditional Name: N-(4-chloro-6-ethoxy-pyrimidin-2-yl)-N-phenyl-carbamate; [4-(dimethylamino)-6-ethoxy-pyrimidin-2-yl]-phenyl-carbamic acid Formula: C28H29ClN7O6- MolecularWeight: 595.02616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)N(C2=CC=CC=C2)C(=O)[O-])Cl.CCOC1=NC(=NC(=C1)N(C)C)N(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=NC(=N1)N(C2=CC=CC=C2)C(=O)[O-])Cl.CCOC1=NC(=NC(=C1)N(C)C)N(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H18N4O3.C13H12ClN3O3/c1-4-22-13-10-12(18(2)3)16-14(17-13)19(15(20)21)11-8-6-5-7-9-11;1-2-20-11-8-10(14)15-12(16-11)17(13(18)19)9-6-4-3-5-7-9/h5-10H,4H2,1-3H3,(H,20,21);3-8H,2H2,1H3,(H,18,19)/p-1