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

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic 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-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-2-keto-ethyl] ester Formula: C25H34N4O6 MolecularWeight: 486.56066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6/c1-3-5-10-16-28(22-23(26)29(15-6-4-2)25(34)27-24(22)33)20(31)17-35-21(32)14-13-19(30)18-11-8-7-9-12-18/h7-9,11-12H,3-6,10,13-17,26H2,1-2H3,(H,27,33,34)