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

Systemtic Name: 2-[[4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]thiophen-2-yl]amino]pentanedioic acid Openeye Name: 2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-2-thienyl]amino]pentanedioic acid CAS Name: 2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]-2-thiophenyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]thiophen-2-yl]amino]pentanedioic acid Traditional Name: 2-[[4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]-2-thienyl]amino]glutaric acid Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1CCCCC2=C(NC(=NC2=O)N)N)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=C(SC=C1CCCCC2=C(NC(=NC2=O)N)N)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H23N5O5S/c18-14-10(15(25)22-17(19)21-14)4-2-1-3-9-7-12(28-8-9)20-11(16(26)27)5-6-13(23)24/h7-8,11,20H,1-6H2,(H,23,24)(H,26,27)(H5,18,19,21,22,25)