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

Systemtic Name: (3-methylphenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: m-tolylmethyl 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 (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)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 (3-methylbenzyl) ester Formula: C25H36N4O5 MolecularWeight: 472.57714

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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(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O5/c1-4-6-8-15-28(22-23(26)29(14-7-5-2)25(33)27-24(22)32)20(30)12-13-21(31)34-17-19-11-9-10-18(3)16-19/h9-11,16H,4-8,12-15,17,26H2,1-3H3,(H,27,32,33)