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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(2-pyridin-3-ylethyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-[2-(3-pyridyl)ethyl]urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-[2-(3-pyridinyl)ethyl]urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-pyridin-3-ylethyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-[2-(3-pyridyl)ethyl]urea Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCCC2=CN=CC=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCCC2=CN=CC=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H18N6O/c21-19-24-13-17(14-25-19)7-6-15-3-1-5-18(11-15)26-20(27)23-10-8-16-4-2-9-22-12-16/h1-5,9,11-14H,8,10H2,(H2,21,24,25)(H2,23,26,27)