5-[3-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[(4-benzoxy-3-methoxy-benzyl)amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C24H26N3O4S- MolecularWeight: 452.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H27N3O4S/c1-16-19(23(29)27-24(26-16)32-3)10-12-22(28)25-14-18-9-11-20(21(13-18)30-2)31-15-17-7-5-4-6-8-17/h4-9,11,13H,10,12,14-15H2,1-3H3,(H,25,28)(H,26,27,29)/p-1