6-methyl-5-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-5-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxidanylidene-propyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-methyl-5-[3-[methyl(2-thienylmethyl)amino]-3-oxo-propyl]pyrimidin-4-olate CAS Name: 6-methyl-5-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-keto-3-[methyl(2-thenyl)amino]propyl]-6-methyl-pyrimidin-4-olate Formula: C21H22N3O2S2- MolecularWeight: 412.54828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N(C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)N(C)CC3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c1-15-18(10-11-19(25)24(2)13-17-9-6-12-27-17)20(26)23-21(22-15)28-14-16-7-4-3-5-8-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,23,26)/p-1