1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(oxan-4-ylmethyl)urea

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(oxan-4-ylmethyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(tetrahydropyran-4-ylmethyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(4-oxanylmethyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(oxan-4-ylmethyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(tetrahydropyran-4-ylmethyl)urea Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

C1COCCC1CNC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C19H21N5O2/c20-18-21-12-16(13-22-18)5-4-14-2-1-3-17(10-14)24-19(25)23-11-15-6-8-26-9-7-15/h1-3,10,12-13,15H,6-9,11H2,(H2,20,21,22)(H2,23,24,25)