4-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[3-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(4,6-diaminopyrimidin-2-yl)thio]propanoylamino]benzoic acid Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H15N5O3S/c15-10-7-11(16)19-14(18-10)23-6-5-12(20)17-9-3-1-8(2-4-9)13(21)22/h1-4,7H,5-6H2,(H,17,20)(H,21,22)(H4,15,16,18,19)