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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-2-keto-ethyl] ester Formula: C22H29ClN4O6 MolecularWeight: 480.94186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C22H29ClN4O6/c1-3-5-7-11-26(18-19(24)27(10-6-4-2)22(32)25-20(18)30)17(29)13-33-21(31)15-9-8-14(23)12-16(15)28/h8-9,12,28H,3-7,10-11,13,24H2,1-2H3,(H,25,30,32)