N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-piperonylamide Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C20H14N4O3/c21-20-22-10-14(11-23-20)5-4-13-2-1-3-16(8-13)24-19(25)15-6-7-17-18(9-15)27-12-26-17/h1-3,6-11H,12H2,(H,24,25)(H2,21,22,23)