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

Systemtic Name: (2-cyanophenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: (2-cyanophenyl)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 (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)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 (2-cyanobenzyl) ester Formula: C25H33N5O5 MolecularWeight: 483.56002

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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=C2C#N

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C25H33N5O5/c1-3-5-9-15-29(22-23(27)30(14-6-4-2)25(34)28-24(22)33)20(31)12-13-21(32)35-17-19-11-8-7-10-18(19)16-26/h7-8,10-11H,3-6,9,12-15,17,27H2,1-2H3,(H,28,33,34)