N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(6-azanyl-9-propyl-8-pyrazol-1-yl-purin-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-amino-9-propyl-8-(1-pyrazolyl)-2-purinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-amino-9-propyl-8-pyrazol-1-ylpurin-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-amino-9-propyl-8-pyrazol-1-yl-purin-2-yl)-piperonylamide Formula: C19H18N8O3 MolecularWeight: 406.39802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)N)N=C1N5C=CC=N5

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)N)N=C1N5C=CC=N5

InChI

InChI=1S/C19H18N8O3/c1-2-7-26-16-14(22-19(26)27-8-3-6-21-27)15(20)23-18(24-16)25-17(28)11-4-5-12-13(9-11)30-10-29-12/h3-6,8-9H,2,7,10H2,1H3,(H3,20,23,24,25,28)