3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-oxidanyl-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CC(C4=CC=CC=C4)O

InChI

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