(8E)-8-(6-oxidanylidene-1,2-dihydropyridazin-3-ylidene)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: (8E)-8-(6-oxidanylidene-1,2-dihydropyridazin-3-ylidene)-1,3-dipropyl-purine-2,6-dione Openeye Name: (8E)-8-(6-oxo-1,2-dihydropyridazin-3-ylidene)-1,3-dipropyl-purine-2,6-dione CAS Name: (8E)-8-(6-oxo-1,2-dihydropyridazin-3-ylidene)-1,3-dipropylpurine-2,6-dione IUPAC Name: (8E)-8-(6-oxo-1,2-dihydropyridazin-3-ylidene)-1,3-dipropylpurine-2,6-dione Traditional Name: (8E)-8-(6-keto-1,2-dihydropyridazin-3-ylidene)-1,3-dipropyl-xanthine Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=CC(=O)NN3)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C/3\C=CC(=O)NN3)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C15H18N6O3/c1-3-7-20-13-11(14(23)21(8-4-2)15(20)24)16-12(17-13)9-5-6-10(22)19-18-9/h5-6,18H,3-4,7-8H2,1-2H3,(H,19,22)/b12-9+