2-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-pyrimidine-4-carboxylate

Systemtic Name: 2-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-pyrimidine-4-carboxylate Openeye Name: 2-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]thio]-5-chloro-4-pyrimidinecarboxylate IUPAC Name: 2-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]sulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl]thio]-5-chloro-pyrimidine-4-carboxylate Formula: C19H23ClN3O3S- MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC=C(C(=N4)C(=O)[O-])Cl

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC=C(C(=N4)C(=O)[O-])Cl

InChI

InChI=1S/C19H24ClN3O3S/c1-10(19-5-11-2-12(6-19)4-13(3-11)7-19)22-15(24)9-27-18-21-8-14(20)16(23-18)17(25)26/h8,10-13H,2-7,9H2,1H3,(H,22,24)(H,25,26)/p-1/t10-,11?,12?,13?,19?/m0/s1