5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonic acid

Systemtic Name: 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonic acid Openeye Name: 5-(2,4-diaminopyrimidin-5-yl)oxy-4-isopropyl-2-methoxy-benzenesulfonic acid CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-propan-2-ylbenzenesulfonic acid IUPAC Name: 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonic acid Traditional Name: 5-(2,4-diaminopyrimidin-5-yl)oxy-4-isopropyl-2-methoxy-besylic acid Formula: C14H18N4O5S MolecularWeight: 354.38152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)O)OC

Isomeric SMILES

CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)O)OC

InChI

InChI=1S/C14H18N4O5S/c1-7(2)8-4-10(22-3)12(24(19,20)21)5-9(8)23-11-6-17-14(16)18-13(11)15/h4-7H,1-3H3,(H,19,20,21)(H4,15,16,17,18)