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

Systemtic Name: 4-[4-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)butyl]benzoic acid Openeye Name: 4-[4-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid CAS Name: 4-[4-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid IUPAC Name: 4-[4-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid Traditional Name: 4-[4-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)butyl]benzoic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H19N3O3/c1-10-13(14(20)19-16(17)18-10)5-3-2-4-11-6-8-12(9-7-11)15(21)22/h6-9H,2-5H2,1H3,(H,21,22)(H3,17,18,19,20)