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

Systemtic Name: 4-[1-[2,4-bis(azanyl)-6-chloranyl-pyrimidin-5-yl]butyl]benzoic acid Openeye Name: 4-[1-(2,4-diamino-6-chloro-pyrimidin-5-yl)butyl]benzoic acid CAS Name: 4-[1-(2,4-diamino-6-chloro-5-pyrimidinyl)butyl]benzoic acid IUPAC Name: 4-[1-(2,4-diamino-6-chloropyrimidin-5-yl)butyl]benzoic acid Traditional Name: 4-[1-(2,4-diamino-6-chloro-pyrimidin-5-yl)butyl]benzoic acid Formula: C15H17ClN4O2 MolecularWeight: 320.77408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O2/c1-2-3-10(8-4-6-9(7-5-8)14(21)22)11-12(16)19-15(18)20-13(11)17/h4-7,10H,2-3H2,1H3,(H,21,22)(H4,17,18,19,20)