[3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)oxymethyl]-3-oxidanyl-cyclobutyl]methyl benzoate

Systemtic Name: [3-[(2-azanyl-6-chloranyl-pyrimidin-4-yl)oxymethyl]-3-oxidanyl-cyclobutyl]methyl benzoate Openeye Name: [3-[(2-amino-6-chloro-pyrimidin-4-yl)oxymethyl]-3-hydroxy-cyclobutyl]methyl benzoate CAS Name: benzoic acid [3-[(2-amino-6-chloro-4-pyrimidinyl)oxymethyl]-3-hydroxycyclobutyl]methyl ester IUPAC Name: [3-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]-3-hydroxycyclobutyl]methyl benzoate Traditional Name: benzoic acid [3-[(2-amino-6-chloro-pyrimidin-4-yl)oxymethyl]-3-hydroxy-cyclobutyl]methyl ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1(COC2=CC(=NC(=N2)N)Cl)O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CC1(COC2=CC(=NC(=N2)N)Cl)O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18ClN3O4/c18-13-6-14(21-16(19)20-13)25-10-17(23)7-11(8-17)9-24-15(22)12-4-2-1-3-5-12/h1-6,11,23H,7-10H2,(H2,19,20,21)