2-cyclopropyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-methyl-6-(3-phenylpropylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-methyl-6-(3-phenylpropylsulfanyl)pyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-methyl-6-(3-phenylpropylthio)pyrimidine-5-carboxylic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H20N2O2S/c1-12-15(18(21)22)17(20-16(19-12)14-9-10-14)23-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,21,22)