8-(1-phenethylpyrazol-4-yl)-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(1-phenethylpyrazol-4-yl)-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-phenethylpyrazol-4-yl)-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(1-phenethyl-4-pyrazolyl)-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1-phenethylpyrazol-4-yl)-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-phenethylpyrazol-4-yl)-1-propyl-7H-xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O2/c1-2-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-11-20-24(12-14)10-8-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3,(H,21,22)(H,23,27)