1-[4-[(3-ethynylphenyl)amino]quinazolin-7-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-7-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(3-ethynylanilino)quinazolin-7-yl]urea CAS Name: 1-[4-(3-ethynylanilino)-7-quinazolinyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(3-ethynylanilino)quinazolin-7-yl]urea Traditional Name: 1-benzyl-3-[4-(3-ethynylanilino)quinazolin-7-yl]urea Formula: C24H19N5O MolecularWeight: 393.44056

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H19N5O/c1-2-17-9-6-10-19(13-17)28-23-21-12-11-20(14-22(21)26-16-27-23)29-24(30)25-15-18-7-4-3-5-8-18/h1,3-14,16H,15H2,(H2,25,29,30)(H,26,27,28)