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

Systemtic Name: 8-[1-(phenylmethyl)pyrazol-4-yl]-7-propyl-3-pyridin-3-yl-purine-2,6-dione Openeye Name: 8-(1-benzylpyrazol-4-yl)-7-propyl-3-(3-pyridyl)purine-2,6-dione CAS Name: 8-[1-(phenylmethyl)-4-pyrazolyl]-7-propyl-3-(3-pyridinyl)purine-2,6-dione IUPAC Name: 8-(1-benzylpyrazol-4-yl)-7-propyl-3-pyridin-3-ylpurine-2,6-dione Traditional Name: 8-(1-benzylpyrazol-4-yl)-7-propyl-3-(3-pyridyl)xanthine Formula: C23H21N7O2 MolecularWeight: 427.45854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CN(N=C3)CC4=CC=CC=C4)N(C(=O)NC2=O)C5=CN=CC=C5

Isomeric SMILES

CCCN1C2=C(N=C1C3=CN(N=C3)CC4=CC=CC=C4)N(C(=O)NC2=O)C5=CN=CC=C5

InChI

InChI=1S/C23H21N7O2/c1-2-11-29-19-21(30(23(32)27-22(19)31)18-9-6-10-24-13-18)26-20(29)17-12-25-28(15-17)14-16-7-4-3-5-8-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,27,31,32)