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4-[1-[2,4-bis(azanyl)-6-chloranyl-pyrimidin-5-yl]propyl]benzoic acid

4-[1-[2,4-bis(azanyl)-6-chloranyl-pyrimidin-5-yl]propyl]benzoic acid

Systemtic Name:4-[1-[2,4-bis(azanyl)-6-chloranyl-pyrimidin-5-yl]propyl]benzoic acid
Openeye Name:4-[1-(2,4-diamino-6-chloro-pyrimidin-5-yl)propyl]benzoic acid
CAS Name:4-[1-(2,4-diamino-6-chloro-5-pyrimidinyl)propyl]benzoic acid
IUPAC Name:4-[1-(2,4-diamino-6-chloropyrimidin-5-yl)propyl]benzoic acid
Traditional Name:4-[1-(2,4-diamino-6-chloro-pyrimidin-5-yl)propyl]benzoic acid
Formula: C14H15ClN4O2
MolecularWeight: 306.7475
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C(=O)O)C2=C(N=C(N=C2Cl)N)N


Isomeric SMILES

CCC(C1=CC=C(C=C1)C(=O)O)C2=C(N=C(N=C2Cl)N)N


InChI

InChI=1S/C14H15ClN4O2/c1-2-9(7-3-5-8(6-4-7)13(20)21)10-11(15)18-14(17)19-12(10)16/h3-6,9H,2H2,1H3,(H,20,21)(H4,16,17,18,19)


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