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

Systemtic Name: N-[4-[4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]phenyl]pyridin-3-yl]-1-oxidanylidene-1-phenyl-methanesulfonamide Openeye Name: N-[4-[4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]phenyl]-3-pyridyl]-1-oxo-1-phenyl-methanesulfonamide CAS Name: N-[4-[4-[[6-methyl-2-(methylamino)-8-propyl-9-purinyl]methyl]phenyl]-3-pyridinyl]-1-oxo-1-phenylmethanesulfonamide IUPAC Name: N-[4-[4-[[6-methyl-2-(methylamino)-8-propylpurin-9-yl]methyl]phenyl]pyridin-3-yl]-1-oxo-1-phenylmethanesulfonamide Traditional Name: 1-keto-N-[4-[4-[[6-methyl-2-(methylamino)-8-propyl-purin-9-yl]methyl]phenyl]-3-pyridyl]-1-phenyl-methanesulfonamide Formula: C29H29N7O3S MolecularWeight: 555.65066

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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)NC)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)NC)C

InChI

InChI=1S/C29H29N7O3S/c1-4-8-25-33-26-19(2)32-29(30-3)34-27(26)36(25)18-20-11-13-21(14-12-20)23-15-16-31-17-24(23)35-40(38,39)28(37)22-9-6-5-7-10-22/h5-7,9-17,35H,4,8,18H2,1-3H3,(H,30,32,34)