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

Systemtic Name: 4-[1-(2-azanyl-4-chloranyl-6-methyl-pyrimidin-5-yl)butyl]benzoic acid Openeye Name: 4-[1-(2-amino-4-chloro-6-methyl-pyrimidin-5-yl)butyl]benzoic acid CAS Name: 4-[1-(2-amino-4-chloro-6-methyl-5-pyrimidinyl)butyl]benzoic acid IUPAC Name: 4-[1-(2-amino-4-chloro-6-methylpyrimidin-5-yl)butyl]benzoic acid Traditional Name: 4-[1-(2-amino-4-chloro-6-methyl-pyrimidin-5-yl)butyl]benzoic acid Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2/c1-3-4-12(10-5-7-11(8-6-10)15(21)22)13-9(2)19-16(18)20-14(13)17/h5-8,12H,3-4H2,1-2H3,(H,21,22)(H2,18,19,20)