2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H24N3O2S- MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(C2CC2)C3=CCCCC3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N(C2CC2)C3=CCCCC3)[O-]

InChI

InChI=1S/C18H25N3O2S/c1-2-6-13-11-16(22)20-18(19-13)24-12-17(23)21(15-9-10-15)14-7-4-3-5-8-14/h7,11,15H,2-6,8-10,12H2,1H3,(H,19,20,22)/p-1