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

Systemtic Name: pyridin-2-ylmethyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: 2-pyridylmethyl 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-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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-pyridylmethyl ester Formula: C23H33N5O5 MolecularWeight: 459.53862

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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=CC=N2

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C23H33N5O5/c1-3-5-9-15-27(20-21(24)28(14-6-4-2)23(32)26-22(20)31)18(29)11-12-19(30)33-16-17-10-7-8-13-25-17/h7-8,10,13H,3-6,9,11-12,14-16,24H2,1-2H3,(H,26,31,32)