N-[6-methyl-2-oxidanylidene-1-[3-(7H-purin-6-ylamino)propyl]pyridin-3-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[6-methyl-2-oxidanylidene-1-[3-(7H-purin-6-ylamino)propyl]pyridin-3-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[6-methyl-2-oxo-1-[3-(7H-purin-6-ylamino)propyl]-3-pyridyl]-1-phenyl-methanesulfonamide CAS Name: N-[6-methyl-2-oxo-1-[3-(7H-purin-6-ylamino)propyl]-3-pyridinyl]-1-phenylmethanesulfonamide IUPAC Name: N-[6-methyl-2-oxo-1-[3-(7H-purin-6-ylamino)propyl]pyridin-3-yl]-1-phenylmethanesulfonamide Traditional Name: N-[2-keto-6-methyl-1-[3-(7H-purin-6-ylamino)propyl]-3-pyridyl]-1-phenyl-methanesulfonamide Formula: C21H23N7O3S MolecularWeight: 453.51742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CCCNC2=NC=NC3=C2NC=N3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C(=O)N1CCCNC2=NC=NC3=C2NC=N3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N7O3S/c1-15-8-9-17(27-32(30,31)12-16-6-3-2-4-7-16)21(29)28(15)11-5-10-22-19-18-20(24-13-23-18)26-14-25-19/h2-4,6-9,13-14,27H,5,10-12H2,1H3,(H2,22,23,24,25,26)