ethyl 4-[3-methyl-5-[(4-methylsulfonylphenyl)methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-methyl-5-[(4-methylsulfonylphenyl)methyl]-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-methyl-5-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-5-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-5-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[2,4-diketo-5-(4-mesylbenzyl)-3-methyl-1H-pyrimidin-6-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C(=O)N2)C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H26N4O6S/c1-4-30-20(27)24-11-9-23(10-12-24)17-16(18(25)22(2)19(26)21-17)13-14-5-7-15(8-6-14)31(3,28)29/h5-8H,4,9-13H2,1-3H3,(H,21,26)