8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC=C(C=C3)OC)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N6O3/c1-30-22-21(23(32)28-25(30)33)31(15-18-8-5-7-17-6-3-4-9-20(17)18)24(27-22)29-26-14-16-10-12-19(34-2)13-11-16/h3-14H,15H2,1-2H3,(H,27,29)(H,28,32,33)/b26-14+