4-[4-[2,4-bis(azanyl)pyrimidin-5-yl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2,4-bis(azanyl)pyrimidin-5-yl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2,4-diaminopyrimidin-5-yl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2,4-diamino-5-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2,4-diaminopyrimidin-5-yl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2,4-diaminopyrimidin-5-yl)piperazino]benzoic acid Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=CN=C(N=C3N)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)O)C3=CN=C(N=C3N)N

InChI

InChI=1S/C15H18N6O2/c16-13-12(9-18-15(17)19-13)21-7-5-20(6-8-21)11-3-1-10(2-4-11)14(22)23/h1-4,9H,5-8H2,(H,22,23)(H4,16,17,18,19)