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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-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] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6/c1-4-6-10-24-17(21)15(18(27)22-20(24)29)23(5-2)14(25)11-30-19(28)13-9-7-8-12(3)16(13)26/h7-9,26H,4-6,10-11,21H2,1-3H3,(H,22,27,29)