2,6-bis(azanyl)-5-(4-thiophen-2-ylbutyl)-1H-pyrimidin-4-one; 2-(carboxyamino)pentanedioic acid

Systemtic Name: 2,6-bis(azanyl)-5-(4-thiophen-2-ylbutyl)-1H-pyrimidin-4-one; 2-(carboxyamino)pentanedioic acid Openeye Name: 2-(carboxyamino)pentanedioic acid; 2,6-diamino-5-[4-(2-thienyl)butyl]-1H-pyrimidin-4-one CAS Name: 2-(carboxyamino)pentanedioic acid; 2,6-diamino-5-(4-thiophen-2-ylbutyl)-1H-pyrimidin-4-one IUPAC Name: 2-(carboxyamino)pentanedioic acid; 2,6-diamino-5-(4-thiophen-2-ylbutyl)-1H-pyrimidin-4-one Traditional Name: 2-(carboxyamino)glutaric acid; 2,6-diamino-5-[4-(2-thienyl)butyl]-1H-pyrimidin-4-one Formula: C18H25N5O7S MolecularWeight: 455.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCCC2=C(NC(=NC2=O)N)N.C(CC(=O)O)C(C(=O)O)NC(=O)O

Isomeric SMILES

C1=CSC(=C1)CCCCC2=C(NC(=NC2=O)N)N.C(CC(=O)O)C(C(=O)O)NC(=O)O

InChI

InChI=1S/C12H16N4OS.C6H9NO6/c13-10-9(11(17)16-12(14)15-10)6-2-1-4-8-5-3-7-18-8;8-4(9)2-1-3(5(10)11)7-6(12)13/h3,5,7H,1-2,4,6H2,(H5,13,14,15,16,17);3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)