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

Systemtic Name: 1-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-3-(2-pyrimidin-4-ylethyl)urea Openeye Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-pyrimidin-4-ylethyl)urea CAS Name: 1-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-3-[2-(4-pyrimidinyl)ethyl]urea IUPAC Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(2-pyrimidin-4-ylethyl)urea Traditional Name: 1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-[2-(4-pyrimidyl)ethyl]urea Formula: C19H17N7O MolecularWeight: 359.38458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N7O/c20-18-23-11-15(12-24-18)5-4-14-2-1-3-17(10-14)26-19(27)22-9-7-16-6-8-21-13-25-16/h1-3,6,8,10-13H,7,9H2,(H2,20,23,24)(H2,22,26,27)