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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)CC4=CC=CC=C4

InChI

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