(8E)-1,3-dipropyl-8-(1,2,5-thiadiazol-3-ylidene)purine-2,6-dione

Systemtic Name: (8E)-1,3-dipropyl-8-(1,2,5-thiadiazol-3-ylidene)purine-2,6-dione Openeye Name: (8E)-1,3-dipropyl-8-(1,2,5-thiadiazol-3-ylidene)purine-2,6-dione CAS Name: (8E)-1,3-dipropyl-8-(1,2,5-thiadiazol-3-ylidene)purine-2,6-dione IUPAC Name: (8E)-1,3-dipropyl-8-(1,2,5-thiadiazol-3-ylidene)purine-2,6-dione Traditional Name: (8E)-1,3-dipropyl-8-(1,2,5-thiadiazol-3-ylidene)xanthine Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=NSN3)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C/3\C=NSN3)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C13H16N6O2S/c1-3-5-18-11-9(12(20)19(6-4-2)13(18)21)15-10(16-11)8-7-14-22-17-8/h7,17H,3-6H2,1-2H3/b10-8+