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

Systemtic Name: 4-[1-[2,4-bis(azanyl)pyrimidin-5-yl]piperidin-4-yl]benzoic acid Openeye Name: 4-[1-(2,4-diaminopyrimidin-5-yl)-4-piperidyl]benzoic acid CAS Name: 4-[1-(2,4-diamino-5-pyrimidinyl)-4-piperidinyl]benzoic acid IUPAC Name: 4-[1-(2,4-diaminopyrimidin-5-yl)piperidin-4-yl]benzoic acid Traditional Name: 4-[1-(2,4-diaminopyrimidin-5-yl)-4-piperidyl]benzoic acid Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)C(=O)O)C3=CN=C(N=C3N)N

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)C(=O)O)C3=CN=C(N=C3N)N

InChI

InChI=1S/C16H19N5O2/c17-14-13(9-19-16(18)20-14)21-7-5-11(6-8-21)10-1-3-12(4-2-10)15(22)23/h1-4,9,11H,5-8H2,(H,22,23)(H4,17,18,19,20)