2-[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H16ClN4O2S- MolecularWeight: 351.83114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)NC2=NC=C(C=C2)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)NC2=NC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C15H17ClN4O2S/c1-3-4-11-7-13(21)20-15(18-11)23-9(2)14(22)19-12-6-5-10(16)8-17-12/h5-9H,3-4H2,1-2H3,(H,17,19,22)(H,18,20,21)/p-1/t9-/m1/s1