4-azanyl-2-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-[2-(dicyclohexylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[[2-(dicyclohexylamino)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-[[2-(dicyclohexylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC=C(C(=N3)N)C(=O)O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC=C(C(=N3)N)C(=O)O

InChI

InChI=1S/C19H28N4O3S/c20-17-15(18(25)26)11-21-19(22-17)27-12-16(24)23(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11,13-14H,1-10,12H2,(H,25,26)(H2,20,21,22)