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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(4-methoxyphenyl)urea Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C#CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H17N5O2/c1-27-18-9-7-16(8-10-18)24-20(26)25-17-4-2-3-14(11-17)5-6-15-12-22-19(21)23-13-15/h2-4,7-13H,1H3,(H2,21,22,23)(H2,24,25,26)