3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C22H19N7O4 MolecularWeight: 445.43076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC(C5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)C[C@H](C5=CC=CC=C5)O

InChI

InChI=1S/C22H19N7O4/c1-28-18-17(20(32)25-22(28)33)29(11-15(30)12-7-3-2-4-8-12)21(24-18)27-26-16-13-9-5-6-10-14(13)23-19(16)31/h2-10,15,30H,11H2,1H3,(H,24,27)(H,23,26,31)(H,25,32,33)/t15-/m1/s1