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

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 4-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-4-oxo-butanoate CAS Name: 4-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-4-oxobutanoic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate Traditional Name: 4-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-4-keto-butyric acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C27H40N4O7 MolecularWeight: 532.6291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCCOC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCCOC2=CC=C(C=C2)OCC

InChI

InChI=1S/C27H40N4O7/c1-4-7-9-17-30(24-25(28)31(16-8-5-2)27(35)29-26(24)34)22(32)14-15-23(33)38-19-18-37-21-12-10-20(11-13-21)36-6-3/h10-13H,4-9,14-19,28H2,1-3H3,(H,29,34,35)