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

Systemtic Name: 3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=CC=CC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N6O3/c1-25-17-16(18(28)23-20(25)29)26(12-13-7-3-2-4-8-13)19(22-17)24-21-11-14-9-5-6-10-15(14)27/h2-11,21H,12H2,1H3,(H,22,24)(H,23,28,29)