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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C20H25FN4O5 MolecularWeight: 420.434703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=CC(=C(C=C2)C)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=CC(=C(C=C2)C)F)N

InChI

InChI=1S/C20H25FN4O5/c1-4-6-9-25-17(22)16(18(27)23-20(25)29)24(5-2)15(26)11-30-19(28)13-8-7-12(3)14(21)10-13/h7-8,10H,4-6,9,11,22H2,1-3H3,(H,23,27,29)