3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-1-hexyl-1-methyl-urea

Systemtic Name: 3-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-1-hexyl-1-methyl-urea Openeye Name: 3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-hexyl-1-methyl-urea CAS Name: 3-[4-(3-ethynylanilino)-6-quinazolinyl]-1-hexyl-1-methylurea IUPAC Name: 3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-hexyl-1-methylurea Traditional Name: 3-[4-(3-ethynylanilino)quinazolin-6-yl]-1-hexyl-1-methyl-urea Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CCCCCCN(C)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C24H27N5O/c1-4-6-7-8-14-29(3)24(30)28-20-12-13-22-21(16-20)23(26-17-25-22)27-19-11-9-10-18(5-2)15-19/h2,9-13,15-17H,4,6-8,14H2,1,3H3,(H,28,30)(H,25,26,27)