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

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-[(2E)-2-(4-quinolylmethylene)hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(2E)-2-(4-quinolinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1-benzyl-3,7-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(N=C1NN=CC3=CC=NC4=CC=CC=C34)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

Isomeric SMILES

CN1C2=C(N=C1N/N=C/C3=CC=NC4=CC=CC=C34)N(C(=O)N(C2=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C24H21N7O2/c1-29-20-21(30(2)24(33)31(22(20)32)15-16-8-4-3-5-9-16)27-23(29)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+