1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(1,3-benzodioxol-5-yl)urea

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(1,3-benzodioxol-5-yl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(1,3-benzodioxol-5-yl)urea Formula: C20H15N5O3 MolecularWeight: 373.3648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O3/c21-19-22-10-14(11-23-19)5-4-13-2-1-3-15(8-13)24-20(26)25-16-6-7-17-18(9-16)28-12-27-17/h1-3,6-11H,12H2,(H2,21,22,23)(H2,24,25,26)