2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C21H26N3O2S- MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N(C)C2CCCCC2)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N(C)C2CCCCC2)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-15-18(13-16-9-5-3-6-10-16)20(26)23-21(22-15)27-14-19(25)24(2)17-11-7-4-8-12-17/h3,5-6,9-10,17H,4,7-8,11-14H2,1-2H3,(H,22,23,26)/p-1