7-hexyl-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-[(2E)-2-(4-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-[(N'E)-N'-(4-pyridylmethylene)hydrazino]xanthine Formula: C18H23N7O2 MolecularWeight: 369.42092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NN=CC3=CC=NC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N/N=C/C3=CC=NC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N7O2/c1-3-4-5-6-11-25-14-15(24(2)18(27)22-16(14)26)21-17(25)23-20-12-13-7-9-19-10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,21,23)(H,22,26,27)/b20-12+