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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(NC(=O)NC2=O)N=C1C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(NC(=O)NC2=O)N=C1C3=CN(N=C3)CC4=CC=CC=C4

InChI

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