[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H28N4O3S/c1-14-18(15(2)24-21(23-14)29-5)10-11-20(27)28-13-19(26)22-12-16-6-8-17(9-7-16)25(3)4/h6-9H,10-13H2,1-5H3,(H,22,26)