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

Systemtic Name: 1-butyl-8-[1-(phenylmethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-1-butyl-3,7-dihydropurine-2,6-dione CAS Name: 1-butyl-8-[1-(phenylmethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-1-butyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-1-butyl-7H-xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27)