1,3,7-trimethyl-8-[(E)-pyridin-4-ylmethylideneamino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(E)-pyridin-4-ylmethylideneamino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(E)-4-pyridylmethyleneamino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(E)-pyridin-4-ylmethylideneamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(E)-pyridin-4-ylmethylideneamino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(E)-4-pyridylmethyleneamino]xanthine Formula: C14H14N6O2 MolecularWeight: 298.29996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N=CC3=CC=NC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1/N=C/C3=CC=NC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N6O2/c1-18-10-11(19(2)14(22)20(3)12(10)21)17-13(18)16-8-9-4-6-15-7-5-9/h4-8H,1-3H3/b16-8+