4-heptylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-heptylsulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-heptylsulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(heptylthio)-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-heptylsulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(heptylthio)-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

Isomeric SMILES

CCCCCCCSC1=NC(=NC(=C1C(=O)O)C)C(C)C

InChI

InChI=1S/C16H26N2O2S/c1-5-6-7-8-9-10-21-15-13(16(19)20)12(4)17-14(18-15)11(2)3/h11H,5-10H2,1-4H3,(H,19,20)