3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-phenoxyethyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-(2-phenoxyethyl)-8-[(N'E)-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)CCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CN=CC=C3)CCOC4=CC=CC=C4

InChI

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