3-methyl-7-(naphthalen-1-ylmethyl)-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C24H20N6O3 MolecularWeight: 440.454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC(=O)C=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC(=O)C=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H20N6O3/c1-29-21-20(22(32)27-24(29)33)30(14-17-7-4-6-16-5-2-3-8-19(16)17)23(26-21)28-25-13-15-9-11-18(31)12-10-15/h2-13,25H,14H2,1H3,(H,26,28)(H,27,32,33)