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

Systemtic Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylene]hydrazino]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(3-hydroxybenzylidene)hydrazino]-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)O)CCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O4/c1-26-18-17(19(29)24-21(26)30)27(10-11-31-16-8-3-2-4-9-16)20(23-18)25-22-13-14-6-5-7-15(28)12-14/h2-9,12-13,28H,10-11H2,1H3,(H,23,25)(H,24,29,30)/b22-13+