6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]pyrimidin-4-olate Formula: C21H24N3O2S- MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H25N3O2S/c25-19(22-12-11-16-7-3-1-4-8-16)13-18-14-20(26)24-21(23-18)27-15-17-9-5-2-6-10-17/h2,5-7,9-10,14H,1,3-4,8,11-13,15H2,(H,22,25)(H,23,24,26)/p-1