diethyl 2-[[4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid diethyl ester Formula: C24H33N5O6 MolecularWeight: 487.54872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C24H33N5O6/c1-3-34-19(30)14-13-18(23(33)35-4-2)27-21(31)16-11-9-15(10-12-16)7-5-6-8-17-20(25)28-24(26)29-22(17)32/h9-12,18H,3-8,13-14H2,1-2H3,(H,27,31)(H5,25,26,28,29,32)