6-azanyl-5-[1-(2-azanylthiophen-3-yl)butyl]-1H-pyrimidin-4-one; 3-azanylpropane-1,1,3-tricarboxylic acid

Systemtic Name: 6-azanyl-5-[1-(2-azanylthiophen-3-yl)butyl]-1H-pyrimidin-4-one; 3-azanylpropane-1,1,3-tricarboxylic acid Openeye Name: 6-amino-5-[1-(2-amino-3-thienyl)butyl]-1H-pyrimidin-4-one; 3-aminopropane-1,1,3-tricarboxylic acid CAS Name: 6-amino-5-[1-(2-amino-3-thiophenyl)butyl]-1H-pyrimidin-4-one; 3-aminopropane-1,1,3-tricarboxylic acid IUPAC Name: 6-amino-5-[1-(2-aminothiophen-3-yl)butyl]-1H-pyrimidin-4-one; 3-aminopropane-1,1,3-tricarboxylic acid Traditional Name: 6-amino-5-[1-(2-amino-3-thienyl)butyl]-1H-pyrimidin-4-one; 3-aminopropane-1,1,3-tricarboxylic acid Formula: C18H25N5O7S MolecularWeight: 455.4854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(SC=C1)N)C2=C(NC=NC2=O)N.C(C(C(=O)O)C(=O)O)C(C(=O)O)N

Isomeric SMILES

CCCC(C1=C(SC=C1)N)C2=C(NC=NC2=O)N.C(C(C(=O)O)C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C12H16N4OS.C6H9NO6/c1-2-3-7(8-4-5-18-11(8)14)9-10(13)15-6-16-12(9)17;7-3(6(12)13)1-2(4(8)9)5(10)11/h4-7H,2-3,14H2,1H3,(H3,13,15,16,17);2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)