3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-[(2Z)-2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-[(2Z)-2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-[(N'Z)-N'-(3-pyridylmethylene)hydrazino]xanthine Formula: C20H19N7O3 MolecularWeight: 405.40996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CN=CC=C3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\C3=CN=CC=C3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C20H19N7O3/c1-26-17-16(18(29)24-20(26)30)27(12-15(28)14-7-3-2-4-8-14)19(23-17)25-22-11-13-6-5-9-21-10-13/h2-11,15,28H,12H2,1H3,(H,23,25)(H,24,29,30)/b22-11-/t15-/m1/s1