N-[3-[[6-[[(1S)-1-phenylpropyl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-[[(1S)-1-phenylpropyl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-[[(1S)-1-phenylpropyl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-[[(1S)-1-phenylpropyl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-[[(1S)-1-phenylpropyl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-[[(1S)-1-phenylpropyl]amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C21H23N7O2S/c1-3-17(14-8-5-4-6-9-14)25-20-18-19(23-13-22-18)26-21(27-20)24-15-10-7-11-16(12-15)28-31(2,29)30/h4-13,17,28H,3H2,1-2H3,(H3,22,23,24,25,26,27)/t17-/m0/s1