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

Systemtic Name: 3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(3-phenylpropyl)xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3/c1-27-19-18(20(30)25-22(27)31)28(13-7-10-15-8-3-2-4-9-15)21(24-19)26-23-14-16-11-5-6-12-17(16)29/h2-6,8-9,11-12,14,23H,7,10,13H2,1H3,(H,24,26)(H,25,30,31)