N-[3-[2-azanyl-4-chloranyl-6-(phenylmethyl)pyrimidin-5-yl]propyl]-4-methyl-N-phenyl-benzenesulfonamide

Systemtic Name: N-[3-[2-azanyl-4-chloranyl-6-(phenylmethyl)pyrimidin-5-yl]propyl]-4-methyl-N-phenyl-benzenesulfonamide Openeye Name: N-[3-(2-amino-4-benzyl-6-chloro-pyrimidin-5-yl)propyl]-4-methyl-N-phenyl-benzenesulfonamide CAS Name: N-[3-[2-amino-4-chloro-6-(phenylmethyl)-5-pyrimidinyl]propyl]-4-methyl-N-phenylbenzenesulfonamide IUPAC Name: N-[3-(2-amino-4-benzyl-6-chloropyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide Traditional Name: N-[3-(2-amino-4-benzyl-6-chloro-pyrimidin-5-yl)propyl]-4-methyl-N-phenyl-benzenesulfonamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=C(N=C(N=C2Cl)N)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC2=C(N=C(N=C2Cl)N)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O2S/c1-20-14-16-23(17-15-20)35(33,34)32(22-11-6-3-7-12-22)18-8-13-24-25(30-27(29)31-26(24)28)19-21-9-4-2-5-10-21/h2-7,9-12,14-17H,8,13,18-19H2,1H3,(H2,29,30,31)