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

Systemtic Name: 3-methyl-8-[2-[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[2-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN/C=C\3/C=CC=CC3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O3/c1-26-18-17(19(29)24-21(26)30)27(12-11-14-7-3-2-4-8-14)20(23-18)25-22-13-15-9-5-6-10-16(15)28/h2-10,13,22H,11-12H2,1H3,(H,23,25)(H,24,29,30)/b15-13-