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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H15N5O3S/c1-7(23-14-18-10(15)6-11(16)19-14)12(20)17-9-4-2-8(3-5-9)13(21)22/h2-7H,1H3,(H,17,20)(H,21,22)(H4,15,16,18,19)