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

Systemtic Name: 1,3-dimethyl-7-phenethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-phenethyl-8-[(2E)-2-(4-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-phenethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-phenethyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-phenethyl-8-[(N'E)-N'-(4-pyridylmethylene)hydrazino]xanthine Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=CC=NC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=NC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N7O2/c1-26-18-17(19(29)27(2)21(26)30)28(13-10-15-6-4-3-5-7-15)20(24-18)25-23-14-16-8-11-22-12-9-16/h3-9,11-12,14H,10,13H2,1-2H3,(H,24,25)/b23-14+