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

Systemtic Name: (4-tert-butylphenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: (4-tert-butylphenyl)methyl 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 (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 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 (4-tert-butylbenzyl) ester Formula: C28H42N4O5 MolecularWeight: 514.65688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C28H42N4O5/c1-6-8-10-18-31(24-25(29)32(17-9-7-2)27(36)30-26(24)35)22(33)15-16-23(34)37-19-20-11-13-21(14-12-20)28(3,4)5/h11-14H,6-10,15-19,29H2,1-5H3,(H,30,35,36)