2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(1-adamantylmethylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(1-adamantylmethylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(1-adamantylmethylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(1-adamantylmethylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H28N3O2S- MolecularWeight: 374.52022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCC23CC4CC(C2)CC(C4)C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCC23CC4CC(C2)CC(C4)C3)[O-]

InChI

InChI=1S/C20H29N3O2S/c1-2-3-16-7-17(24)23-19(22-16)26-11-18(25)21-12-20-8-13-4-14(9-20)6-15(5-13)10-20/h7,13-15H,2-6,8-12H2,1H3,(H,21,25)(H,22,23,24)/p-1