8-[1-(phenylmethyl)pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-propyl-7H-xanthine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2/c1-2-8-24-17(25)14-16(22-18(24)26)21-15(20-14)13-9-19-23(11-13)10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,21)(H,22,26)