5-[bis(phenylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: 5-(dibenzylamino)-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-[bis(phenylmethyl)amino]-2-methylsulfonyl-4-pyrimidinecarboxylate IUPAC Name: 5-(dibenzylamino)-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-(dibenzylamino)-2-mesyl-pyrimidine-4-carboxylate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-28(26,27)20-21-12-17(18(22-20)19(24)25)23(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,24,25)/p-1