N-[4-[4-[(2,6-dimethyl-8-propyl-purin-9-yl)methyl]phenyl]pyridin-3-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide

Systemtic Name: N-[4-[4-[(2,6-dimethyl-8-propyl-purin-9-yl)methyl]phenyl]pyridin-3-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide Openeye Name: N-[4-[4-[(2,6-dimethyl-8-propyl-purin-9-yl)methyl]phenyl]-3-pyridyl]-1-oxo-1-phenyl-methanesulfonamide CAS Name: N-[4-[4-[(2,6-dimethyl-8-propyl-9-purinyl)methyl]phenyl]-3-pyridinyl]-1-oxo-1-phenylmethanesulfonamide IUPAC Name: N-[4-[4-[(2,6-dimethyl-8-propylpurin-9-yl)methyl]phenyl]pyridin-3-yl]-1-oxo-1-phenylmethanesulfonamide Traditional Name: N-[4-[4-[(2,6-dimethyl-8-propyl-purin-9-yl)methyl]phenyl]-3-pyridyl]-1-keto-1-phenyl-methanesulfonamide Formula: C29H28N6O3S MolecularWeight: 540.63602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(N=C2N1CC3=CC=C(C=C3)C4=C(C=NC=C4)NS(=O)(=O)C(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCCC1=NC2=C(N=C(N=C2N1CC3=CC=C(C=C3)C4=C(C=NC=C4)NS(=O)(=O)C(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H28N6O3S/c1-4-8-26-33-27-19(2)31-20(3)32-28(27)35(26)18-21-11-13-22(14-12-21)24-15-16-30-17-25(24)34-39(37,38)29(36)23-9-6-5-7-10-23/h5-7,9-17,34H,4,8,18H2,1-3H3