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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(2-oxidanylidenepiperidin-3-yl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-oxo-3-piperidyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(2-oxo-3-piperidinyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-oxopiperidin-3-yl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-keto-3-piperidyl)urea Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

C1CC(C(=O)NC1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C18H18N6O2/c19-17-21-10-13(11-22-17)7-6-12-3-1-4-14(9-12)23-18(26)24-15-5-2-8-20-16(15)25/h1,3-4,9-11,15H,2,5,8H2,(H,20,25)(H2,19,21,22)(H2,23,24,26)