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

Systemtic Name: (8Z)-8-(2-phenyl-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione Openeye Name: (8Z)-8-(2-phenyl-1H-pyrazol-3-ylidene)-1,3-dipropyl-purine-2,6-dione CAS Name: (8Z)-8-(2-phenyl-1H-pyrazol-3-ylidene)-1,3-dipropylpurine-2,6-dione IUPAC Name: (8Z)-8-(2-phenyl-1H-pyrazol-3-ylidene)-1,3-dipropylpurine-2,6-dione Traditional Name: (8Z)-8-(2-phenyl-3-pyrazolin-3-ylidene)-1,3-dipropyl-xanthine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=C3C=CNN3C4=CC=CC=C4)N=C2C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=N/C(=C\3/C=CNN3C4=CC=CC=C4)/N=C2C(=O)N(C1=O)CCC

InChI

InChI=1S/C20H22N6O2/c1-3-12-24-18-16(19(27)25(13-4-2)20(24)28)22-17(23-18)15-10-11-21-26(15)14-8-6-5-7-9-14/h5-11,21H,3-4,12-13H2,1-2H3/b17-15-