3-[4-[(3-ethynylphenyl)amino]quinazolin-7-yl]-1-(2-methoxyethyl)-1-methyl-urea

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]quinazolin-7-yl]-1-(2-methoxyethyl)-1-methyl-urea Openeye Name: 3-[4-(3-ethynylanilino)quinazolin-7-yl]-1-(2-methoxyethyl)-1-methyl-urea CAS Name: 3-[4-(3-ethynylanilino)-7-quinazolinyl]-1-(2-methoxyethyl)-1-methylurea IUPAC Name: 3-[4-(3-ethynylanilino)quinazolin-7-yl]-1-(2-methoxyethyl)-1-methylurea Traditional Name: 3-[4-(3-ethynylanilino)quinazolin-7-yl]-1-(2-methoxyethyl)-1-methyl-urea Formula: C21H21N5O2 MolecularWeight: 375.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC)C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CN(CCOC)C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H21N5O2/c1-4-15-6-5-7-16(12-15)24-20-18-9-8-17(13-19(18)22-14-23-20)25-21(27)26(2)10-11-28-3/h1,5-9,12-14H,10-11H2,2-3H3,(H,25,27)(H,22,23,24)