3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-1-(2-methoxyethyl)-1-methyl-urea

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-1-(2-methoxyethyl)-1-methyl-urea Openeye Name: 3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-1-(2-methoxyethyl)-1-methyl-urea CAS Name: 3-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-1-(2-methoxyethyl)-1-methylurea IUPAC Name: 3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1-(2-methoxyethyl)-1-methylurea Traditional Name: 3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-1-(2-methoxyethyl)-1-methyl-urea Formula: C22H23N5O3 MolecularWeight: 405.44972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC)C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC

Isomeric SMILES

CN(CCOC)C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OC

InChI

InChI=1S/C22H23N5O3/c1-5-15-7-6-8-16(11-15)25-21-17-12-19(26-22(28)27(2)9-10-29-3)20(30-4)13-18(17)23-14-24-21/h1,6-8,11-14H,9-10H2,2-4H3,(H,26,28)(H,23,24,25)