1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(4-quinolylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-[(2E)-2-(4-quinolinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[(N'E)-N'-(4-quinolylmethylene)hydrazino]xanthine Formula: C24H21N7O2 MolecularWeight: 439.46924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=NC4=CC=CC=C34)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=NC4=CC=CC=C34)CC5=CC=CC=C5

InChI

InChI=1S/C24H21N7O2/c1-29-21-20(22(32)30(2)24(29)33)31(15-16-8-4-3-5-9-16)23(27-21)28-26-14-17-12-13-25-19-11-7-6-10-18(17)19/h3-14H,15H2,1-2H3,(H,27,28)/b26-14+