4-(3-methylbutyl)-2,6-bis[(phenylmethyl)sulfonyl]pyrimidine

Systemtic Name: 4-(3-methylbutyl)-2,6-bis[(phenylmethyl)sulfonyl]pyrimidine Openeye Name: 2,4-bis(benzylsulfonyl)-6-isopentyl-pyrimidine CAS Name: 4-(3-methylbutyl)-2,6-bis[(phenylmethyl)sulfonyl]pyrimidine IUPAC Name: 2,4-bis(benzylsulfonyl)-6-(3-methylbutyl)pyrimidine Traditional Name: 2,4-bis(benzylsulfonyl)-6-isoamyl-pyrimidine Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=NC(=N1)S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1=CC(=NC(=N1)S(=O)(=O)CC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S2/c1-18(2)13-14-21-15-22(30(26,27)16-19-9-5-3-6-10-19)25-23(24-21)31(28,29)17-20-11-7-4-8-12-20/h3-12,15,18H,13-14,16-17H2,1-2H3