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

Systemtic Name: [2-[6-azanyl-1-cyclopropyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-(6-amino-1-cyclopropyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-(6-amino-1-cyclopropyl-2,4-dioxo-5-pyrimidinyl)-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-cyclopropyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-(6-amino-1-cyclopropyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C17H16FN3O5 MolecularWeight: 361.324443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=O)NC2=O)C3CC3)N)F

InChI

InChI=1S/C17H16FN3O5/c1-8-2-3-9(6-11(8)18)16(24)26-7-12(22)13-14(19)21(10-4-5-10)17(25)20-15(13)23/h2-3,6,10H,4-5,7,19H2,1H3,(H,20,23,25)