2-[[4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]thiophen-3-yl]oxycarbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propyl]thiophen-3-yl]oxycarbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]-3-thienyl]oxycarbonylamino]pentanedioic acid CAS Name: 2-[[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]-3-thiophenyl]oxy-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propyl]thiophen-3-yl]oxycarbonylamino]pentanedioic acid Traditional Name: 2-[[4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propyl]-3-thienyl]oxycarbonylamino]glutaric acid Formula: C17H21N5O7S MolecularWeight: 439.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CS1)OC(=O)NC(CCC(=O)O)C(=O)O)CCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=C(C(=CS1)OC(=O)NC(CCC(=O)O)C(=O)O)CCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C17H21N5O7S/c18-13-9(14(25)22-16(19)21-13)3-1-2-8-6-30-7-11(8)29-17(28)20-10(15(26)27)4-5-12(23)24/h6-7,10H,1-5H2,(H,20,28)(H,23,24)(H,26,27)(H5,18,19,21,22,25)