(8Z)-8-(2,5-dimethyl-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione

Systemtic Name: (8Z)-8-(2,5-dimethyl-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione Openeye Name: (8Z)-8-(2,5-dimethyl-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione CAS Name: (8Z)-8-(2,5-dimethyl-1H-pyrazol-3-ylidene)-1,3-dipropylpurine-2,6-dione IUPAC Name: (8Z)-8-(2,5-dimethyl-1H-pyrazol-3-ylidene)-1,3-dipropylpurine-2,6-dione Traditional Name: (8Z)-8-(2,5-dimethyl-3-pyrazolin-3-ylidene)-1,3-dipropyl-xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=C(NN3C)C)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C\3/C=C(NN3C)C)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C16H22N6O2/c1-5-7-21-14-12(15(23)22(8-6-2)16(21)24)17-13(18-14)11-9-10(3)19-20(11)4/h9,19H,5-8H2,1-4H3/b13-11-