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

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea Openeye Name: 3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea CAS Name: 3-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-1,1-bis(2-methoxyethyl)urea IUPAC Name: 3-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea Traditional Name: 3-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-1,1-bis(2-methoxyethyl)urea Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O4/c1-5-17-7-6-8-18(13-17)27-23-19-14-21(22(33-4)15-20(19)25-16-26-23)28-24(30)29(9-11-31-2)10-12-32-3/h1,6-8,13-16H,9-12H2,2-4H3,(H,28,30)(H,25,26,27)